2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide

C31H29ClFN5O4 — CID 118347840

IUPAC2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)nc1
InChIInChI=1S/C31H29ClFN5O4/c1-4-34-28(39)12-18-8-11-27(35-15-18)37-24-14-23(29-21(32)6-5-7-22(29)33)36-25-17-38(31(40)30(24)25)16-19-9-10-20(41-2)13-26(19)42-3/h5-11,13-15H,4,12,16-17H2,1-3H3,(H,34,39)(H,35,36,37)
InChIKeyWWHOMNZNLSCUKK-UHFFFAOYSA-N
MW590.06 g/mol
LogP5.53
Rot. Bonds10

About 2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide

2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide (PubChem CID 118347840) has the molecular formula C31H29ClFN5O4 and a molecular weight of 590.06 g/mol. Its IUPAC name is 2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide
PubChem CID118347840
Molecular FormulaC31H29ClFN5O4
Molecular Weight590.06 g/mol
Exact Mass589.19
IUPAC Name2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)nc1
InChIInChI=1S/C31H29ClFN5O4/c1-4-34-28(39)12-18-8-11-27(35-15-18)37-24-14-23(29-21(32)6-5-7-22(29)33)36-25-17-38(31(40)30(24)25)16-19-9-10-20(41-2)13-26(19)42-3/h5-11,13-15H,4,12,16-17H2,1-3H3,(H,34,39)(H,35,36,37)
InChIKeyWWHOMNZNLSCUKK-UHFFFAOYSA-N
XLogP5.53
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.06
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide 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

2-(2-Chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341377
4-amino-N-(1-((3-chloro-2-fluorophenyl)amino)-6-methylisoquinolin-5-yl)-5-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 163272270
N-[(2,4-Dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-YL)pyridine-3-carboxamide
CID 53180615
N-[(2,4-Dimethoxyphenyl)methyl]-6-(3-phenylpiperazin-1-YL)pyridine-3-carboxamide
CID 53180782
2-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 132463235
6-(2-chloro-5-methoxyphenyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 57542789
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-piperidin-4-yloxy-4-propan-2-yloxybenzamide
CID 57860817
tert-butyl 2-[(1R,2R)-2-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]acetate
CID 58317597
2-[2-[2-(4-Chloro-2-methylphenoxy)-6-fluorophenyl]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 60117957
2-[2-[2-[(4-Chlorophenyl)methoxy]-6-fluorophenyl]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 60118043
2-[2-[2-Ethoxy-6-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 60118180
2-[2-[2-Fluoro-6-(4-methylphenoxy)phenyl]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 60118184

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide?
The IUPAC name of 2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide (CID 118347840) is 2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide.
What is the SMILES notation for 2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide?
The canonical SMILES for 2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide is CCNC(=O)Cc1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)nc1.
What is the InChIKey of 2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide?
The InChIKey is WWHOMNZNLSCUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClFN5O4/c1-4-34-28(39)12-18-8-11-27(35-15-18)37-24-14-23(29-21(32)6-5-7-22(29)33)36-25-17-38(31(40)30(24)25)16-19-9-10-20(41-2)13-26(19)42-3/h5-11,13-15H,4,12,16-17H2,1-3H3,(H,34,39)(H,35,36,37).
What are the key properties of 2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide?
2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide has a molecular weight of 590.06 g/mol, XLogP of 5.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide is sourced from PubChem (CID 118347840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).