5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide

C36H38ClN5O — CID 44534613

IUPAC5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cnn(-c2ccccc2)c1-c1ccccc1Cl
InChIInChI=1S/C36H38ClN5O/c37-33-12-6-4-11-30(33)35-32(23-39-42(35)28-8-2-1-3-9-28)36(43)40-27-16-14-25(15-17-27)24-41-20-18-26(19-21-41)31-22-38-34-13-7-5-10-29(31)34/h1-13,22-23,25-27,38H,14-21,24H2,(H,40,43)
InChIKeyZOVSGXOBCGVSFH-UHFFFAOYSA-N
MW592.19 g/mol
LogP7.84
Rot. Bonds7

About 5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide

5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 44534613) has the molecular formula C36H38ClN5O and a molecular weight of 592.19 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide
PubChem CID44534613
Molecular FormulaC36H38ClN5O
Molecular Weight592.19 g/mol
Exact Mass591.28
IUPAC Name5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cnn(-c2ccccc2)c1-c1ccccc1Cl
InChIInChI=1S/C36H38ClN5O/c37-33-12-6-4-11-30(33)35-32(23-39-42(35)28-8-2-1-3-9-28)36(43)40-27-16-14-25(15-17-27)24-41-20-18-26(19-21-41)31-22-38-34-13-7-5-10-29(31)34/h1-13,22-23,25-27,38H,14-21,24H2,(H,40,43)
InChIKeyZOVSGXOBCGVSFH-UHFFFAOYSA-N
XLogP7.84
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.19
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-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-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide (CID 44534613) is 5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide is O=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cnn(-c2ccccc2)c1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZOVSGXOBCGVSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38ClN5O/c37-33-12-6-4-11-30(33)35-32(23-39-42(35)28-8-2-1-3-9-28)36(43)40-27-16-14-25(15-17-27)24-41-20-18-26(19-21-41)31-22-38-34-13-7-5-10-29(31)34/h1-13,22-23,25-27,38H,14-21,24H2,(H,40,43).
What are the key properties of 5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide?
5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 592.19 g/mol, XLogP of 7.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 44534613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).