1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide

C25H21FN6O3 — CID 22240517

IUPAC1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide
SMILESN#Cc1cc(-n2nc(C(N)=O)cc2C(=O)N2CCc3cc(N4CCCCC4=O)ccc32)ccc1F
InChIInChI=1S/C25H21FN6O3/c26-19-6-4-18(12-16(19)14-27)32-22(13-20(29-32)24(28)34)25(35)31-10-8-15-11-17(5-7-21(15)31)30-9-2-1-3-23(30)33/h4-7,11-13H,1-3,8-10H2,(H2,28,34)
InChIKeyAPJJYTCHBBQKGD-UHFFFAOYSA-N
MW472.48 g/mol
LogP2.70
Rot. Bonds4

About 1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide

1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide (PubChem CID 22240517) has the molecular formula C25H21FN6O3 and a molecular weight of 472.48 g/mol. Its IUPAC name is 1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide
PubChem CID22240517
Molecular FormulaC25H21FN6O3
Molecular Weight472.48 g/mol
Exact Mass472.17
IUPAC Name1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide
SMILESN#Cc1cc(-n2nc(C(N)=O)cc2C(=O)N2CCc3cc(N4CCCCC4=O)ccc32)ccc1F
InChIInChI=1S/C25H21FN6O3/c26-19-6-4-18(12-16(19)14-27)32-22(13-20(29-32)24(28)34)25(35)31-10-8-15-11-17(5-7-21(15)31)30-9-2-1-3-23(30)33/h4-7,11-13H,1-3,8-10H2,(H2,28,34)
InChIKeyAPJJYTCHBBQKGD-UHFFFAOYSA-N
XLogP2.70
TPSA125.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile
CID 79686870
5-[5-(6-bromo-4-oxo-2,3-dihydroquinoline-1-carbonyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzonitrile
CID 22732078
1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one
CID 166279915
2-fluoro-4-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53417042
1-(3-amino-1,2-benzoxazol-5-yl)-5-[5-[[2-(dimethylamino)acetyl]-methylamino]-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide
CID 10174479
(3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110316006
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 85472322
1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopiperidine-3-carboxamide
CID 21071195
2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile
CID 62315767
5-(2-oxopiperidin-1-yl)-2-propan-2-ylbenzonitrile
CID 176647750
1-(4-fluoro-2-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087043
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27825940

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide (CID 22240517) is 1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide is N#Cc1cc(-n2nc(C(N)=O)cc2C(=O)N2CCc3cc(N4CCCCC4=O)ccc32)ccc1F.
What is the InChIKey of 1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide?
The InChIKey is APJJYTCHBBQKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O3/c26-19-6-4-18(12-16(19)14-27)32-22(13-20(29-32)24(28)34)25(35)31-10-8-15-11-17(5-7-21(15)31)30-9-2-1-3-23(30)33/h4-7,11-13H,1-3,8-10H2,(H2,28,34).
What are the key properties of 1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide?
1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide has a molecular weight of 472.48 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide is sourced from PubChem (CID 22240517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).