Rebastinib
4-[4-[(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
Molecular Identity
Rebastinib
4-[4-[(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
PubChem CID: 25066467
DCC-2036 is a member of the class of ureas that is urea in which one of the nitrogens bears a 3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl substituent, while the other bears a 2-fluoro-4-{[2-(methylcarbamoyl)pyridin-4-yl]oxy}phenyl substituent. It has a role as a tyrosine kinase inhibitor. It is a member of phenylureas, a pyridinecarboxamide, a member of pyrazoles, a member of quinolines and an organofluorine compound.
2D Structure
Properties
C30H28FN7O3
Molecular Formula
553.60
Molecular Weight
g/mol
553.2238
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
123
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
904
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)F)C4=CC5=C(C=C4)N=CC=C5Isomeric SMILES
SMILES: CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)F)C4=CC5=C(C=C4)N=CC=C5Synonyms(20)
REBASTINIB1020172-07-9DCC-2036DCC 2036DP-1919DCC-2036 FREE BASECHEBI:621664-[4-({[3-Tert-Butyl-1-(Quinolin-6-Yl)-1h-Pyrazol-5-Yl]carbamoyl}amino)-3-Fluorophenoxy]-N-Methylpyridine-2-Carboxamide75017Q6I97DTXSID401445334-(3-fluoro-4-(((3-(2-methyl-2-propanyl)-1-(6-quinolinyl)-1H-pyrazol-5-yl)carbamoyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamiderebastinibum4-(4-(((3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl)carbamoyl)amino)-3-fluorophenoxy)-N-methylpyridine-2-carboxamideRefChem:930592DTXCID8067024
Data from PubChem (NCBI)
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