6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one

C24H22FN5O3 — CID 91338533

IUPAC6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc2c(c1)CN(C(=O)Cn1c(=O)n(C)c3cc(-c4ccc(F)c(N)c4)cnc31)C2
InChIInChI=1S/C24H22FN5O3/c1-28-21-9-16(14-4-6-19(25)20(26)8-14)10-27-23(21)30(24(28)32)13-22(31)29-11-15-3-5-18(33-2)7-17(15)12-29/h3-10H,11-13,26H2,1-2H3
InChIKeyQMUMMGIBJWJQRG-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.67
Rot. Bonds4

About 6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one

6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 91338533) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one
PubChem CID91338533
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc2c(c1)CN(C(=O)Cn1c(=O)n(C)c3cc(-c4ccc(F)c(N)c4)cnc31)C2
InChIInChI=1S/C24H22FN5O3/c1-28-21-9-16(14-4-6-19(25)20(26)8-14)10-27-23(21)30(24(28)32)13-22(31)29-11-15-3-5-18(33-2)7-17(15)12-29/h3-10H,11-13,26H2,1-2H3
InChIKeyQMUMMGIBJWJQRG-UHFFFAOYSA-N
XLogP2.67
TPSA95.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one (CID 91338533) is 6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one is COc1ccc2c(c1)CN(C(=O)Cn1c(=O)n(C)c3cc(-c4ccc(F)c(N)c4)cnc31)C2.
What is the InChIKey of 6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is QMUMMGIBJWJQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-28-21-9-16(14-4-6-19(25)20(26)8-14)10-27-23(21)30(24(28)32)13-22(31)29-11-15-3-5-18(33-2)7-17(15)12-29/h3-10H,11-13,26H2,1-2H3.
What are the key properties of 6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one?
6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 447.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 91338533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).