5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C31H31ClF2N4O3 — CID 163232314

IUPAC5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(CN2C(=O)C(O)(c3cc(F)ccc3F)c3ccccc32)CC1)c1cc(Cl)cnc1NC1CCC1
InChIInChI=1S/C31H31ClF2N4O3/c32-19-14-23(28(35-16-19)36-21-4-3-5-21)29(39)37-22-11-8-18(9-12-22)17-38-27-7-2-1-6-24(27)31(41,30(38)40)25-15-20(33)10-13-26(25)34/h1-2,6-7,10,13-16,18,21-22,41H,3-5,8-9,11-12,17H2,(H,35,36)(H,37,39)
InChIKeyLYQDJMZKQAKVED-UHFFFAOYSA-N
MW581.06 g/mol
LogP5.55
Rot. Bonds7

About 5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 163232314) has the molecular formula C31H31ClF2N4O3 and a molecular weight of 581.06 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID163232314
Molecular FormulaC31H31ClF2N4O3
Molecular Weight581.06 g/mol
Exact Mass580.21
IUPAC Name5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(CN2C(=O)C(O)(c3cc(F)ccc3F)c3ccccc32)CC1)c1cc(Cl)cnc1NC1CCC1
InChIInChI=1S/C31H31ClF2N4O3/c32-19-14-23(28(35-16-19)36-21-4-3-5-21)29(39)37-22-11-8-18(9-12-22)17-38-27-7-2-1-6-24(27)31(41,30(38)40)25-15-20(33)10-13-26(25)34/h1-2,6-7,10,13-16,18,21-22,41H,3-5,8-9,11-12,17H2,(H,35,36)(H,37,39)
InChIKeyLYQDJMZKQAKVED-UHFFFAOYSA-N
XLogP5.55
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.06
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 163232314) is 5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(CN2C(=O)C(O)(c3cc(F)ccc3F)c3ccccc32)CC1)c1cc(Cl)cnc1NC1CCC1.
What is the InChIKey of 5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is LYQDJMZKQAKVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClF2N4O3/c32-19-14-23(28(35-16-19)36-21-4-3-5-21)29(39)37-22-11-8-18(9-12-22)17-38-27-7-2-1-6-24(27)31(41,30(38)40)25-15-20(33)10-13-26(25)34/h1-2,6-7,10,13-16,18,21-22,41H,3-5,8-9,11-12,17H2,(H,35,36)(H,37,39).
What are the key properties of 5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 581.06 g/mol, XLogP of 5.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylamino)-N-[4-[[3-(2,5-difluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 163232314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).