N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide

C15H15F2N3O2 — CID 170446965

IUPACN-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide
SMILESNC(=O)[C@H](CC1CC1)NC(=O)c1cc2cc(F)cc(F)c2[nH]1
InChIInChI=1S/C15H15F2N3O2/c16-9-4-8-5-12(19-13(8)10(17)6-9)15(22)20-11(14(18)21)3-7-1-2-7/h4-7,11,19H,1-3H2,(H2,18,21)(H,20,22)/t11-/m0/s1
InChIKeyLNTZKUQRCJNPHF-NSHDSACASA-N
MW307.30 g/mol
LogP1.83
Rot. Bonds5

About N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide

N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide (PubChem CID 170446965) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide
PubChem CID170446965
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC NameN-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide
SMILESNC(=O)[C@H](CC1CC1)NC(=O)c1cc2cc(F)cc(F)c2[nH]1
InChIInChI=1S/C15H15F2N3O2/c16-9-4-8-5-12(19-13(8)10(17)6-9)15(22)20-11(14(18)21)3-7-1-2-7/h4-7,11,19H,1-3H2,(H2,18,21)(H,20,22)/t11-/m0/s1
InChIKeyLNTZKUQRCJNPHF-NSHDSACASA-N
XLogP1.83
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloro-1H-indole-2-carboxamide
CID 167523907
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide
CID 162478927
methyl (2S)-2-[[(2S)-2-[(7-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]propanoate
CID 166840763
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-chloro-1H-indole-2-carboxamide
CID 162479164
5,7-difluoro-N-[(2S)-4-fluoro-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
CID 170450299
5,7-difluoro-N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 170446795
[3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate
CID 170611211
[(3S)-3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] 2-amino-3-methylbutanoate
CID 170611274
7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-hydroxypiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-1H-indole-2-carboxamide
CID 170026304
N-[(2S)-1-[[(2S)-1-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-1-oxopropan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-7-fluoro-4-methoxy-1H-indole-2-carboxamide
CID 166893073
5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane
CID 170611241
N-[(2S)-1-[[(2S,3R)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 169194222

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide (CID 170446965) is N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide is NC(=O)[C@H](CC1CC1)NC(=O)c1cc2cc(F)cc(F)c2[nH]1.
What is the InChIKey of N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide?
The InChIKey is LNTZKUQRCJNPHF-NSHDSACASA-N. The full InChI is InChI=1S/C15H15F2N3O2/c16-9-4-8-5-12(19-13(8)10(17)6-9)15(22)20-11(14(18)21)3-7-1-2-7/h4-7,11,19H,1-3H2,(H2,18,21)(H,20,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide?
N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide has a molecular weight of 307.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 170446965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).