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

C20H22F2N4O5 — CID 170446795

IUPAC5,7-difluoro-N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide
SMILESO=C(CNC(=O)c1cc2cc(F)cc(F)c2[nH]1)NC(C[C@@H]1CCCNC1=O)C(=O)CO
InChIInChI=1S/C20H22F2N4O5/c21-12-4-11-6-15(26-18(11)13(22)7-12)20(31)24-8-17(29)25-14(16(28)9-27)5-10-2-1-3-23-19(10)30/h4,6-7,10,14,26-27H,1-3,5,8-9H2,(H,23,30)(H,24,31)(H,25,29)/t10-,14?/m0/s1
InChIKeyVECCALALGDPMGF-XLLULAGJSA-N
MW436.42 g/mol
LogP0.14
Rot. Bonds8

About 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

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 (PubChem CID 170446795) has the molecular formula C20H22F2N4O5 and a molecular weight of 436.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,7-difluoro-N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide
PubChem CID170446795
Molecular FormulaC20H22F2N4O5
Molecular Weight436.42 g/mol
Exact Mass436.16
IUPAC Name5,7-difluoro-N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide
SMILESO=C(CNC(=O)c1cc2cc(F)cc(F)c2[nH]1)NC(C[C@@H]1CCCNC1=O)C(=O)CO
InChIInChI=1S/C20H22F2N4O5/c21-12-4-11-6-15(26-18(11)13(22)7-12)20(31)24-8-17(29)25-14(16(28)9-27)5-10-2-1-3-23-19(10)30/h4,6-7,10,14,26-27H,1-3,5,8-9H2,(H,23,30)(H,24,31)(H,25,29)/t10-,14?/m0/s1
InChIKeyVECCALALGDPMGF-XLLULAGJSA-N
XLogP0.14
TPSA140.39 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 50.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 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 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

5,7-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
[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-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane
CID 170611284
[3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane
CID 170611210
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
N-[2-[[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-7-fluoro-1H-indole-2-carboxamide
CID 170611255
N-[(2S)-4,4-difluoro-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide
CID 170431183
7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 170431354
N-[2-oxo-2-[[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
CID 163226879
N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 143139060
7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane
CID 167504271

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CNC(=O)c1cc2cc(F)cc(F)c2[nH]1)NC(C[C@@H]1CCCNC1=O)C(=O)CO.
What is the InChIKey of 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?
The InChIKey is VECCALALGDPMGF-XLLULAGJSA-N. The full InChI is InChI=1S/C20H22F2N4O5/c21-12-4-11-6-15(26-18(11)13(22)7-12)20(31)24-8-17(29)25-14(16(28)9-27)5-10-2-1-3-23-19(10)30/h4,6-7,10,14,26-27H,1-3,5,8-9H2,(H,23,30)(H,24,31)(H,25,29)/t10-,14?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 436.42 g/mol, XLogP of 0.14, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170446795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).