3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane

C24H31ClN4O2 — CID 163224470

IUPAC3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane
SMILESCC.CC.COc1c(Cl)cccc1Nc1c(-c2ccncc2C)[nH]c2c1C(=O)NCC2
InChIInChI=1S/C20H19ClN4O2.2C2H6/c1-11-10-22-8-6-12(11)17-18(16-14(24-17)7-9-23-20(16)26)25-15-5-3-4-13(21)19(15)27-2;2*1-2/h3-6,8,10,24-25H,7,9H2,1-2H3,(H,23,26);2*1-2H3
InChIKeyDGQHDBGVUZJMHS-UHFFFAOYSA-N
MW442.99 g/mol
LogP6.13
Rot. Bonds4

About 3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane

3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane (PubChem CID 163224470) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane
PubChem CID163224470
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC Name3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane
SMILESCC.CC.COc1c(Cl)cccc1Nc1c(-c2ccncc2C)[nH]c2c1C(=O)NCC2
InChIInChI=1S/C20H19ClN4O2.2C2H6/c1-11-10-22-8-6-12(11)17-18(16-14(24-17)7-9-23-20(16)26)25-15-5-3-4-13(21)19(15)27-2;2*1-2/h3-6,8,10,24-25H,7,9H2,1-2H3,(H,23,26);2*1-2H3
InChIKeyDGQHDBGVUZJMHS-UHFFFAOYSA-N
XLogP6.13
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.99
LogP ≤ 56.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-chloro-2-methoxyanilino)-2-[3-[2-[(2R,5R)-5-methylpyrrolidin-2-yl]ethynyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163224670
2-[3-[2-[(1S,3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]ethynyl]-4-pyridinyl]-3-(3-chloro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163223668
tert-butyl N-[2-[[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]carbamate
CID 163298561
3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163224759
3-(3-chloro-2-methoxyanilino)-2-[3-[2-[(2R)-4,4-dimethylpyrrolidin-2-yl]ethynyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 169004216
N-[(2S)-4-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]but-3-yn-2-yl]prop-2-enamide
CID 163223906
N-[1-[2-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]ethynyl]cyclopropyl]prop-2-enamide
CID 163223768
2-(2-amino-4-pyridinyl)-3-(3-chloro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 169006070
3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163250006
3-(3-chloro-2-methoxyanilino)-2-[3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 155714556
(E)-N-[2-[[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-4-(dimethylamino)-N-methylbut-2-enamide
CID 163298548
N-[(2S)-4-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]-1,1,1-trifluoro-2-methylbut-3-yn-2-yl]prop-2-enamide
CID 163224219

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane?
The IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane (CID 163224470) is 3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane.
What is the SMILES notation for 3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane?
The canonical SMILES for 3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane is CC.CC.COc1c(Cl)cccc1Nc1c(-c2ccncc2C)[nH]c2c1C(=O)NCC2.
What is the InChIKey of 3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane?
The InChIKey is DGQHDBGVUZJMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2.2C2H6/c1-11-10-22-8-6-12(11)17-18(16-14(24-17)7-9-23-20(16)26)25-15-5-3-4-13(21)19(15)27-2;2*1-2/h3-6,8,10,24-25H,7,9H2,1-2H3,(H,23,26);2*1-2H3.
What are the key properties of 3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane?
3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane has a molecular weight of 442.99 g/mol, XLogP of 6.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane is sourced from PubChem (CID 163224470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).