N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide

C18H21N5O — CID 164618477

IUPACN-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc2cc(-c3cn[nH]c3)ccc2[nH]1
InChIInChI=1S/C18H21N5O/c24-18(20-9-12-3-5-19-6-4-12)17-8-14-7-13(1-2-16(14)23-17)15-10-21-22-11-15/h1-2,7-8,10-12,19,23H,3-6,9H2,(H,20,24)(H,21,22)
InChIKeyXIMSTCBOEOHOEM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.29
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide

N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide (PubChem CID 164618477) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
PubChem CID164618477
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc2cc(-c3cn[nH]c3)ccc2[nH]1
InChIInChI=1S/C18H21N5O/c24-18(20-9-12-3-5-19-6-4-12)17-8-14-7-13(1-2-16(14)23-17)15-10-21-22-11-15/h1-2,7-8,10-12,19,23H,3-6,9H2,(H,20,24)(H,21,22)
InChIKeyXIMSTCBOEOHOEM-UHFFFAOYSA-N
XLogP2.29
TPSA85.60 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-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

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide (CID 164618477) is N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide is O=C(NCC1CCNCC1)c1cc2cc(-c3cn[nH]c3)ccc2[nH]1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
The InChIKey is XIMSTCBOEOHOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-18(20-9-12-3-5-19-6-4-12)17-8-14-7-13(1-2-16(14)23-17)15-10-21-22-11-15/h1-2,7-8,10-12,19,23H,3-6,9H2,(H,20,24)(H,21,22).
What are the key properties of N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 164618477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).