N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide

C20H21FN4O3 — CID 56864099

IUPACN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide
SMILESCOc1nc2c(cc1CNC(=O)c1ccncc1F)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C20H21FN4O3/c1-28-19-12(9-23-18(26)14-6-7-22-10-16(14)21)8-15-17(24-19)11-25(20(15)27)13-4-2-3-5-13/h6-8,10,13H,2-5,9,11H2,1H3,(H,23,26)
InChIKeyNHJAEXYPWPCTFE-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.45
Rot. Bonds5

About N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide (PubChem CID 56864099) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide
PubChem CID56864099
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide
SMILESCOc1nc2c(cc1CNC(=O)c1ccncc1F)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C20H21FN4O3/c1-28-19-12(9-23-18(26)14-6-7-22-10-16(14)21)8-15-17(24-19)11-25(20(15)27)13-4-2-3-5-13/h6-8,10,13H,2-5,9,11H2,1H3,(H,23,26)
InChIKeyNHJAEXYPWPCTFE-UHFFFAOYSA-N
XLogP2.45
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrrolopyridine, 29
CID 16720207
7-fluoro-3-[4-[4-(6-methoxypyridine-3-carbonyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118507411
[2-(3-Fluoro-2-methyl-benzyl)-5-methoxy-1-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl]-piperazin-1-yl-methanone
CID 56664903
6-methoxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]pyridine-3-carboxamide
CID 71502545
1-[(5-fluoro-2-methoxy-3-pyridyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
CID 72792766
N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 87400677
1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467008
Sdccgsbi-0659053.P001
CID 53185332
N-(4-methoxy-9-oxo-6-phenyl-1,2,8,9-tetrahydro-5,7,9a-triazabenzo[cd]azulen-8-yl)nicotinamide
CID 11373312
N-[[6-(difluoromethoxy)pyridin-3-yl]methyl]-3-oxo-2-(2-pyridin-2-ylethyl)-1H-isoindole-1-carboxamide
CID 44552811
6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71695685
N-[(1R)-1-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696390

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide (CID 56864099) is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide is COc1nc2c(cc1CNC(=O)c1ccncc1F)C(=O)N(C1CCCC1)C2.
What is the InChIKey of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is NHJAEXYPWPCTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-28-19-12(9-23-18(26)14-6-7-22-10-16(14)21)8-15-17(24-19)11-25(20(15)27)13-4-2-3-5-13/h6-8,10,13H,2-5,9,11H2,1H3,(H,23,26).
What are the key properties of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide?
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 56864099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).