Balinatunfib
(1R,11R)-5-[2-(1-aminocyclobutyl)pyrimidin-5-yl]-18-(difluoromethoxy)-12-methyl-2,9,12-triazapentacyclo[9.8.1.02,10.03,8.014,19]icosa-3(8),4,6,9,14(19),15,17-heptaen-13-one
Molecular Identity
Balinatunfib
(1R,11R)-5-[2-(1-aminocyclobutyl)pyrimidin-5-yl]-18-(difluoromethoxy)-12-methyl-2,9,12-triazapentacyclo[9.8.1.02,10.03,8.014,19]icosa-3(8),4,6,9,14(19),15,17-heptaen-13-one
PubChem CID: 132042903
2D Structure
Properties
C27H24F2N6O2
Molecular Formula
502.50
Molecular Weight
g/mol
502.1929
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
99.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
883
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2CC(C3=C(C1=O)C=CC=C3OC(F)F)N4C2=NC5=C4C=C(C=C5)C6=CN=C(N=C6)C7(CCC7)NIsomeric SMILES
SMILES: CN1[C@@H]2C[C@H](C3=C(C1=O)C=CC=C3OC(F)F)N4C2=NC5=C4C=C(C=C5)C6=CN=C(N=C6)C7(CCC7)NSynonyms(20)
balinatunfib2248726-53-4PLY98MAN4CRefChem:1077464SAR-441566(7R,14R)-11-[2-(1-AMINOCYCLOBUTYL)-5-PYRIMIDINYL]-1-(DIFLUOROMETHOXY)-6,7-DIHYDRO-6-METHYL-7,14-METHANOBENZIMIDAZO[1,2-B][2,5]BENZODIAZOCIN-5(14H)-ONETNF|A activity modulator 3SAR441566(1R,11R)-5-[2-(1-aminocyclobutyl)pyrimidin-5-yl]-18-(difluoromethoxy)-12-methyl-2,9,12-triazapentacyclo[9.8.1.02,10.03,8.014,19]icosa-3(8),4,6,9,14(19),15,17-heptaen-13-one7,14-Methanobenzimidazo[1,2-b][2,5]benzodiazocin-5(14H)-one, 11-[2-(1-aminocyclobutyl)-5-pyrimidinyl]-1-(difluoromethoxy)-6,7-dihydro-6-methyl-, (7R,14R)-balinatunfib [INN]Balinatunfib [WHO-DD]Balinatunfib (USAN/INN)BALINATUNFIB [USAN]TNFalpha activity modulator 3
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Balinatunfib
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