2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C19H14ClFN4O2 — CID 118341377

IUPAC2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c2C(=O)NC3)nc1
InChIInChI=1S/C19H14ClFN4O2/c1-27-10-5-6-16(22-8-10)25-14-7-13(17-11(20)3-2-4-12(17)21)24-15-9-23-19(26)18(14)15/h2-8H,9H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyNBHZOQNHGPMLSU-UHFFFAOYSA-N
MW384.80 g/mol
LogP3.93
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 118341377) has the molecular formula C19H14ClFN4O2 and a molecular weight of 384.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID118341377
Molecular FormulaC19H14ClFN4O2
Molecular Weight384.80 g/mol
Exact Mass384.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c2C(=O)NC3)nc1
InChIInChI=1S/C19H14ClFN4O2/c1-27-10-5-6-16(22-8-10)25-14-7-13(17-11(20)3-2-4-12(17)21)24-15-9-23-19(26)18(14)15/h2-8H,9H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyNBHZOQNHGPMLSU-UHFFFAOYSA-N
XLogP3.93
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-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 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 118341377) is 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is COc1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c2C(=O)NC3)nc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is NBHZOQNHGPMLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2/c1-27-10-5-6-16(22-8-10)25-14-7-13(17-11(20)3-2-4-12(17)21)24-15-9-23-19(26)18(14)15/h2-8H,9H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 384.80 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 118341377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).