Molecules/(8e)-3-Amino-1-Methyl-15-[(1h-Pyrazol-1-Yl)methyl]-7,10,11,12,24,25-Hexahydro-6h,18h,23h-19,22-(Metheno)pyrido[4,3-J][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-One
(8e)-3-Amino-1-Methyl-15-[(1h-Pyrazol-1-Yl)methyl]-7,10,11,12,24,25-Hexahydro-6h,18h,23h-19,22-(Metheno)pyrido[4,3-J][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-One
(13E)-20-amino-22-methyl-6-(pyrazol-1-ylmethyl)-9,17-dioxa-1,21,25,29-tetrazatetracyclo[25.2.1.03,8.018,23]triaconta-3(8),4,6,13,18,20,22,27(30),28-nonaen-26-one
Molecular Identity
(8e)-3-Amino-1-Methyl-15-[(1h-Pyrazol-1-Yl)methyl]-7,10,11,12,24,25-Hexahydro-6h,18h,23h-19,22-(Metheno)pyrido[4,3-J][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-One
(13E)-20-amino-22-methyl-6-(pyrazol-1-ylmethyl)-9,17-dioxa-1,21,25,29-tetrazatetracyclo[25.2.1.03,8.018,23]triaconta-3(8),4,6,13,18,20,22,27(30),28-nonaen-26-one
PubChem CID: 134131589
2D Structure
Properties
C29H33N7O3
Molecular Formula
527.60
Molecular Weight
g/mol
527.2645
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
122
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
801
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C2CNC(=O)C3=CN(CC4=C(C=C(C=C4)CN5C=CC=N5)OCCCC=CCCOC2=CC(=N1)N)N=C3Isomeric SMILES
SMILES: CC1=C2CNC(=O)C3=CN(CC4=C(C=C(C=C4)CN5C=CC=N5)OCCC/C=C/CCOC2=CC(=N1)N)N=C3Synonyms(5)
CHEMBL3884851(8e)-3-Amino-1-Methyl-15-[(1h-Pyrazol-1-Yl)methyl]-7,10,11,12,24,25-Hexahydro-6h,18h,23h-19,22-(Metheno)pyrido[4,3-J][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-OneBDBM50210127HY-146152GBT
Data from PubChem (NCBI)
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Molecular Structure
(8e)-3-Amino-1-Methyl-15-[(1h-Pyrazol-1-Yl)methyl]-7,10,11,12,24,25-Hexahydro-6h,18h,23h-19,22-(Metheno)pyrido[4,3-J][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-One
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Drug Network
Trials and conditions connected to (8e)-3-Amino-1-Methyl-15-[(1h-Pyrazol-1-Yl)methyl]-7,10,11,12,24,25-Hexahydro-6h,18h,23h-19,22-(Metheno)pyrido[4,3-J][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-One
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