2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide

C21H22ClN3O2 — CID 53201076

IUPAC2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide
SMILESO=C(CC1c2ncccc2C(=O)N1c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C21H22ClN3O2/c22-14-8-10-16(11-9-14)25-18(20-17(21(25)27)7-4-12-23-20)13-19(26)24-15-5-2-1-3-6-15/h4,7-12,15,18H,1-3,5-6,13H2,(H,24,26)
InChIKeyLGIQGJHAHXTOBV-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.28
Rot. Bonds4

About 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide

2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide (PubChem CID 53201076) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide
PubChem CID53201076
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide
SMILESO=C(CC1c2ncccc2C(=O)N1c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C21H22ClN3O2/c22-14-8-10-16(11-9-14)25-18(20-17(21(25)27)7-4-12-23-20)13-19(26)24-15-5-2-1-3-6-15/h4,7-12,15,18H,1-3,5-6,13H2,(H,24,26)
InChIKeyLGIQGJHAHXTOBV-UHFFFAOYSA-N
XLogP4.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[6-(4-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 53201079
N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839414
2-[(7S)-6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 95114148
6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
CID 126459065
N-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)acetamide
CID 121288670
2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid
CID 53213909
N-[(4-chlorophenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839489
N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839557
N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide
CID 71839590
6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71839530
(7R)-7-(4-chloroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714532
N-(3-methylbutyl)-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839476

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide (CID 53201076) is 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide is O=C(CC1c2ncccc2C(=O)N1c1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide?
The InChIKey is LGIQGJHAHXTOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-14-8-10-16(11-9-14)25-18(20-17(21(25)27)7-4-12-23-20)13-19(26)24-15-5-2-1-3-6-15/h4,7-12,15,18H,1-3,5-6,13H2,(H,24,26).
What are the key properties of 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide?
2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide has a molecular weight of 383.88 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 53201076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).