N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide

C21H25FN4O2 — CID 163373492

IUPACN-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
SMILESCC(C)CC(NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)N1CC(C)CC1C#N
InChIInChI=1S/C21H25FN4O2/c1-12(2)7-19(21(28)26-11-13(3)8-14(26)10-23)25-20(27)18-9-15-16(22)5-4-6-17(15)24-18/h4-6,9,12-14,19,24H,7-8,11H2,1-3H3,(H,25,27)
InChIKeyRPJIGNNUFSGNGW-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.21
Rot. Bonds5

About N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide

N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide (PubChem CID 163373492) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
PubChem CID163373492
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
SMILESCC(C)CC(NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)N1CC(C)CC1C#N
InChIInChI=1S/C21H25FN4O2/c1-12(2)7-19(21(28)26-11-13(3)8-14(26)10-23)25-20(27)18-9-15-16(22)5-4-6-17(15)24-18/h4-6,9,12-14,19,24H,7-8,11H2,1-3H3,(H,25,27)
InChIKeyRPJIGNNUFSGNGW-UHFFFAOYSA-N
XLogP3.21
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-cyano-4-[(2-fluorophenyl)carbamoyl]-4-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 167075761
N-[(2S)-1-[(2'S,3R)-2'-cyano-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 163373593
N-[(2R)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide
CID 165044380
N-[1-[4-[(3-chlorophenyl)carbamoyl]-2-cyanopyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 167075435
N-[1-(2-cyano-4-formylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 163373573
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 166156948
(2S)-2-[[2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695269
4-fluoro-N-[(2S)-4-methyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-en-2-yl]carbamoyl]pyrrolidin-1-yl]pentan-2-yl]-1H-indole-2-carboxamide
CID 166156747
N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide
CID 167075625
(3,5-dimethylpiperidin-1-yl)-(4-fluoro-1H-indol-2-yl)methanone
CID 47151027
N-[(2S)-1-[(1R,2S,5S)-2-[[4-chloro-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 166156955
N-[(2S)-1-[(2S,4S)-2-[[(3S)-1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl]carbamoyl]-3,3,4-trimethylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide
CID 166157305

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide (CID 163373492) is N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide is CC(C)CC(NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)N1CC(C)CC1C#N.
What is the InChIKey of N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide?
The InChIKey is RPJIGNNUFSGNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-12(2)7-19(21(28)26-11-13(3)8-14(26)10-23)25-20(27)18-9-15-16(22)5-4-6-17(15)24-18/h4-6,9,12-14,19,24H,7-8,11H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide?
N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 163373492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).