1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide

C25H34FN5O3 — CID 163373115

IUPAC1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide
SMILESCN(C(=O)CCN1CCC1)C(CC(C)(C)F)C(=O)N1CC(C(=O)Nc2ccccc2)CC1C#N
InChIInChI=1S/C25H34FN5O3/c1-25(2,26)15-21(29(3)22(32)10-13-30-11-7-12-30)24(34)31-17-18(14-20(31)16-27)23(33)28-19-8-5-4-6-9-19/h4-6,8-9,18,20-21H,7,10-15,17H2,1-3H3,(H,28,33)
InChIKeyQFKNBASHIPAZIP-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.43
Rot. Bonds9

About 1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide

1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide (PubChem CID 163373115) has the molecular formula C25H34FN5O3 and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide
PubChem CID163373115
Molecular FormulaC25H34FN5O3
Molecular Weight471.58 g/mol
Exact Mass471.26
IUPAC Name1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide
SMILESCN(C(=O)CCN1CCC1)C(CC(C)(C)F)C(=O)N1CC(C(=O)Nc2ccccc2)CC1C#N
InChIInChI=1S/C25H34FN5O3/c1-25(2,26)15-21(29(3)22(32)10-13-30-11-7-12-30)24(34)31-17-18(14-20(31)16-27)23(33)28-19-8-5-4-6-9-19/h4-6,8-9,18,20-21H,7,10-15,17H2,1-3H3,(H,28,33)
InChIKeyQFKNBASHIPAZIP-UHFFFAOYSA-N
XLogP2.43
TPSA96.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-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

N-[1-[(3S)-2'-cyano-2-oxospiro[1,4-dihydroquinoline-3,4'-pyrrolidine]-1'-yl]-4-fluoro-4-methyl-1-oxopentan-2-yl]-N-methyl-3-pyrrolidin-1-ylpropanamide
CID 163373041
N-[(2S)-1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 167074952
benzyl N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 163372771
N'-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N-phenyl-N'-(2,2,2-trifluoroethyl)oxamide
CID 166487967
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]-N-(2-hydroxy-2-methylpropyl)-N'-methylpropanediamide;2-methylpropane
CID 168880647
5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane
CID 168892814
5-cyano-1-[2-[1-(4,6-difluoro-1H-indol-2-yl)ethenyl-methylamino]-3-phenylpropanoyl]-N-phenylpyrrolidine-3-carboxamide
CID 167075500
5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide
CID 168892815
tert-butyl N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N-propan-2-ylcarbamate
CID 167074923
5-cyano-1-(3-oxopropanoyl)-N-phenylpyrrolidine-3-carboxamide
CID 166487898
1-[2-[[3-amino-2-(tert-butyliminomethyl)prop-2-enoyl]-methylamino]acetyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide
CID 174008983

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide (CID 163373115) is 1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide is CN(C(=O)CCN1CCC1)C(CC(C)(C)F)C(=O)N1CC(C(=O)Nc2ccccc2)CC1C#N.
What is the InChIKey of 1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is QFKNBASHIPAZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN5O3/c1-25(2,26)15-21(29(3)22(32)10-13-30-11-7-12-30)24(34)31-17-18(14-20(31)16-27)23(33)28-19-8-5-4-6-9-19/h4-6,8-9,18,20-21H,7,10-15,17H2,1-3H3,(H,28,33).
What are the key properties of 1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide?
1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(azetidin-1-yl)propanoyl-methylamino]-4-fluoro-4-methylpentanoyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 163373115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).