N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C17H23FN4O2 — CID 145081572

IUPACN-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCC(C)N1CC[C@@H](NC(=O)c2cn(C)c(=O)c3[nH]ccc23)C(F)C1
InChIInChI=1S/C17H23FN4O2/c1-10(2)22-7-5-14(13(18)9-22)20-16(23)12-8-21(3)17(24)15-11(12)4-6-19-15/h4,6,8,10,13-14,19H,5,7,9H2,1-3H3,(H,20,23)/t13?,14-/m1/s1
InChIKeyQJNFJIBIRKEPBE-ARLHGKGLSA-N
MW334.40 g/mol
LogP1.42
Rot. Bonds3

About N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 145081572) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID145081572
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC NameN-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCC(C)N1CC[C@@H](NC(=O)c2cn(C)c(=O)c3[nH]ccc23)C(F)C1
InChIInChI=1S/C17H23FN4O2/c1-10(2)22-7-5-14(13(18)9-22)20-16(23)12-8-21(3)17(24)15-11(12)4-6-19-15/h4,6,8,10,13-14,19H,5,7,9H2,1-3H3,(H,20,23)/t13?,14-/m1/s1
InChIKeyQJNFJIBIRKEPBE-ARLHGKGLSA-N
XLogP1.42
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-7-oxo-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338530
tert-butyl 3-[(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonyl)amino]pyrrolidine-1-carboxylate;molecular hydrogen
CID 145081230
2-chloro-N-[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 155521189
N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338389
6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338208
6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338347
4-(4-methoxypiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337676
4-[[[(1R)-1-cyclohexylethyl]amino]-hydroxymethyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 145081509
N-[4-[cyclobutyl-(1-propan-2-ylpiperidin-4-yl)carbamoyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-[(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonyl)amino]piperidin-1-yl]pyrimidine-4-carbonitrilium
CID 163583588
2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide
CID 47441631
N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338423
6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 160792289

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 145081572) is N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CC(C)N1CC[C@@H](NC(=O)c2cn(C)c(=O)c3[nH]ccc23)C(F)C1.
What is the InChIKey of N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is QJNFJIBIRKEPBE-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-10(2)22-7-5-14(13(18)9-22)20-16(23)12-8-21(3)17(24)15-11(12)4-6-19-15/h4,6,8,10,13-14,19H,5,7,9H2,1-3H3,(H,20,23)/t13?,14-/m1/s1.
What are the key properties of N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 145081572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).