N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide

C24H25N5O2 — CID 91887980

IUPACN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)c4ccc5[nH]ccc5c4)C3)n[nH]2)cc1
InChIInChI=1S/C24H25N5O2/c1-31-20-7-4-16(5-8-20)22-14-23(28-27-22)29-12-2-3-19(15-29)26-24(30)18-6-9-21-17(13-18)10-11-25-21/h4-11,13-14,19,25H,2-3,12,15H2,1H3,(H,26,30)(H,27,28)
InChIKeyKSMXJHVSEMGGOB-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.97
Rot. Bonds5

About N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide

N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide (PubChem CID 91887980) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide
PubChem CID91887980
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)c4ccc5[nH]ccc5c4)C3)n[nH]2)cc1
InChIInChI=1S/C24H25N5O2/c1-31-20-7-4-16(5-8-20)22-14-23(28-27-22)29-12-2-3-19(15-29)26-24(30)18-6-9-21-17(13-18)10-11-25-21/h4-11,13-14,19,25H,2-3,12,15H2,1H3,(H,26,30)(H,27,28)
InChIKeyKSMXJHVSEMGGOB-UHFFFAOYSA-N
XLogP3.97
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-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 N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide?
The IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide (CID 91887980) is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide is COc1ccc(-c2cc(N3CCCC(NC(=O)c4ccc5[nH]ccc5c4)C3)n[nH]2)cc1.
What is the InChIKey of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide?
The InChIKey is KSMXJHVSEMGGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-31-20-7-4-16(5-8-20)22-14-23(28-27-22)29-12-2-3-19(15-29)26-24(30)18-6-9-21-17(13-18)10-11-25-21/h4-11,13-14,19,25H,2-3,12,15H2,1H3,(H,26,30)(H,27,28).
What are the key properties of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide?
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 91887980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).