N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide

C30H33F2N5O3 — CID 167074876

IUPACN-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(F)cc(F)cc2[nH]1)C(CC(C)C)C(=O)N1CC(C(=O)Nc2ccccc2)CC1C#N
InChIInChI=1S/C30H33F2N5O3/c1-4-10-36(29(39)26-15-23-24(32)13-20(31)14-25(23)35-26)27(11-18(2)3)30(40)37-17-19(12-22(37)16-33)28(38)34-21-8-6-5-7-9-21/h5-9,13-15,18-19,22,27,35H,4,10-12,17H2,1-3H3,(H,34,38)
InChIKeyDSLNFZDQWLZSOS-UHFFFAOYSA-N
MW549.62 g/mol
LogP5.09
Rot. Bonds9

About N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide

N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide (PubChem CID 167074876) has the molecular formula C30H33F2N5O3 and a molecular weight of 549.62 g/mol. Its IUPAC name is N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide
PubChem CID167074876
Molecular FormulaC30H33F2N5O3
Molecular Weight549.62 g/mol
Exact Mass549.26
IUPAC NameN-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(F)cc(F)cc2[nH]1)C(CC(C)C)C(=O)N1CC(C(=O)Nc2ccccc2)CC1C#N
InChIInChI=1S/C30H33F2N5O3/c1-4-10-36(29(39)26-15-23-24(32)13-20(31)14-25(23)35-26)27(11-18(2)3)30(40)37-17-19(12-22(37)16-33)28(38)34-21-8-6-5-7-9-21/h5-9,13-15,18-19,22,27,35H,4,10-12,17H2,1-3H3,(H,34,38)
InChIKeyDSLNFZDQWLZSOS-UHFFFAOYSA-N
XLogP5.09
TPSA109.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.62
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-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

5-cyano-1-[2-[1-(4,6-difluoro-1H-indol-2-yl)ethenyl-methylamino]-3-phenylpropanoyl]-N-phenylpyrrolidine-3-carboxamide
CID 167075500
N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]prop-2-enyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 167075001
N-[(2S)-1-[(5S)-5-cyano-2-oxo-1,3,5,6-tetrahydro-1,4-benzodiazocin-4-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide
CID 163373517
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-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-5-methyl-1-oxohexan-2-yl]-4-fluoro-N-propyl-1H-indole-2-carboxamide
CID 167158571
N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 165414269
N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
CID 167075428
N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide
CID 167075625
N-[(2S)-1-[(2R,2'S)-2'-cyano-3-oxospiro[4H-1,4-benzoxazine-2,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 174241659
N-[(2S)-1-[(2'S)-2'-cyano-3-oxospiro[4H-1,4-benzoxazine-2,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 171732981
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-3-(4,6-difluoro-1H-indol-2-yl)-N-methyl-3-oxopropanamide
CID 168880683

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide (CID 167074876) is N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide is CCCN(C(=O)c1cc2c(F)cc(F)cc2[nH]1)C(CC(C)C)C(=O)N1CC(C(=O)Nc2ccccc2)CC1C#N.
What is the InChIKey of N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide?
The InChIKey is DSLNFZDQWLZSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N5O3/c1-4-10-36(29(39)26-15-23-24(32)13-20(31)14-25(23)35-26)27(11-18(2)3)30(40)37-17-19(12-22(37)16-33)28(38)34-21-8-6-5-7-9-21/h5-9,13-15,18-19,22,27,35H,4,10-12,17H2,1-3H3,(H,34,38).
What are the key properties of N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide?
N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide has a molecular weight of 549.62 g/mol, XLogP of 5.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-propyl-1H-indole-2-carboxamide is sourced from PubChem (CID 167074876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).