N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide

C24H21F3N6O3 — CID 163372903

IUPACN-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCN(CC(=O)N1CC(C(=O)Nc2ccccc2)CC1C#N)C(=O)c1cc(F)c2nc(C(F)F)cn2c1
InChIInChI=1S/C24H21F3N6O3/c1-31(24(36)15-8-18(25)22-30-19(21(26)27)12-32(22)10-15)13-20(34)33-11-14(7-17(33)9-28)23(35)29-16-5-3-2-4-6-16/h2-6,8,10,12,14,17,21H,7,11,13H2,1H3,(H,29,35)
InChIKeyQTBFSPPTCMZFBJ-UHFFFAOYSA-N
MW498.47 g/mol
LogP2.86
Rot. Bonds6

About N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide

N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 163372903) has the molecular formula C24H21F3N6O3 and a molecular weight of 498.47 g/mol. Its IUPAC name is N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID163372903
Molecular FormulaC24H21F3N6O3
Molecular Weight498.47 g/mol
Exact Mass498.16
IUPAC NameN-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCN(CC(=O)N1CC(C(=O)Nc2ccccc2)CC1C#N)C(=O)c1cc(F)c2nc(C(F)F)cn2c1
InChIInChI=1S/C24H21F3N6O3/c1-31(24(36)15-8-18(25)22-30-19(21(26)27)12-32(22)10-15)13-20(34)33-11-14(7-17(33)9-28)23(35)29-16-5-3-2-4-6-16/h2-6,8,10,12,14,17,21H,7,11,13H2,1H3,(H,29,35)
InChIKeyQTBFSPPTCMZFBJ-UHFFFAOYSA-N
XLogP2.86
TPSA110.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-1-[2-[(4-chlorobenzoyl)-methylamino]acetyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide
CID 167075561
N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N,1-dimethylindazole-6-carboxamide
CID 163372830
N'-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N-(2-hydroxy-2-methylpropyl)-N'-methylpropanediamide;2-methylpropane
CID 168880647
5-cyano-1-[2-[methyl-[(E)-3-phenylprop-2-enoyl]amino]acetyl]-N-phenylpyrrolidine-3-carboxamide
CID 163372804
5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide
CID 167075757
5-cyano-1-[2-[2-[(2,2-difluoro-3-methylbutanoyl)amino]propanoyl-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide;2-methylpropane
CID 167446095
N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
CID 167075428
N'-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N-phenyl-N'-(2,2,2-trifluoroethyl)oxamide
CID 166487967
4-bromo-7-chloro-N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide;2-methylpropane
CID 163372693
1-[2-[[3-amino-2-(tert-butyliminomethyl)prop-2-enoyl]-methylamino]acetyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide
CID 174008983
1-[2-[[4-amino-3-methoxy-5-[(1-methylcyclopropyl)iminomethyl]benzoyl]-methylamino]acetyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide;2-methylpropane
CID 163373290
N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]prop-2-enyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 167075001

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide (CID 163372903) is N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide is CN(CC(=O)N1CC(C(=O)Nc2ccccc2)CC1C#N)C(=O)c1cc(F)c2nc(C(F)F)cn2c1.
What is the InChIKey of N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is QTBFSPPTCMZFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O3/c1-31(24(36)15-8-18(25)22-30-19(21(26)27)12-32(22)10-15)13-20(34)33-11-14(7-17(33)9-28)23(35)29-16-5-3-2-4-6-16/h2-6,8,10,12,14,17,21H,7,11,13H2,1H3,(H,29,35).
What are the key properties of N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 498.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 163372903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).