N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

C17H15F2N3O2 — CID 53134429

IUPACN-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3cc(F)ccc3F)n2C)c1=O
InChIInChI=1S/C17H15F2N3O2/c1-3-22-7-6-14-11(17(22)24)9-15(21(14)2)16(23)20-13-8-10(18)4-5-12(13)19/h4-9H,3H2,1-2H3,(H,20,23)
InChIKeyBZRWWYZUKIUBRQ-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.89
Rot. Bonds3

About N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53134429) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53134429
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC NameN-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3cc(F)ccc3F)n2C)c1=O
InChIInChI=1S/C17H15F2N3O2/c1-3-22-7-6-14-11(17(22)24)9-15(21(14)2)16(23)20-13-8-10(18)4-5-12(13)19/h4-9H,3H2,1-2H3,(H,20,23)
InChIKeyBZRWWYZUKIUBRQ-UHFFFAOYSA-N
XLogP2.89
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide 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

1-(2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 7802604
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
CID 4382156
4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
CID 1489239
1-Methyl-alpha-oxo-N-(2-(trifluoromethyl)phenyl)-1H-pyrrole-2-acetamide
CID 3762343
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5307663
N,2-dimethyl-7-oxo-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 128963618
4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866991
N-(2-acetamidoethyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 2468420
N-[2-(4-Fluoro-benzoylamino)-ethyl]-6-methyl-nicotinamide
CID 6498619
N-(3,4-difluorophenyl)-1-[(6-methyl-3-pyridinyl)carbonyl]-3-piperidinamine
CID 24791780
N-cyclopentyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309741
1-Methyl-1H-pyrrole-2-carboxylic acid 4-fluoro-benzylamide
CID 11085643

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (CID 53134429) is N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is CCn1ccc2c(cc(C(=O)Nc3cc(F)ccc3F)n2C)c1=O.
What is the InChIKey of N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is BZRWWYZUKIUBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-3-22-7-6-14-11(17(22)24)9-15(21(14)2)16(23)20-13-8-10(18)4-5-12(13)19/h4-9H,3H2,1-2H3,(H,20,23).
What are the key properties of N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53134429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).