N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide

C20H19N7O — CID 135854379

IUPACN-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILES[H]/N=C(\N)c1c[nH]c2ccc(CCNC(=O)c3ccc(-n4cccn4)nc3)cc12
InChIInChI=1S/C20H19N7O/c21-19(22)16-12-24-17-4-2-13(10-15(16)17)6-8-23-20(28)14-3-5-18(25-11-14)27-9-1-7-26-27/h1-5,7,9-12,24H,6,8H2,(H3,21,22)(H,23,28)
InChIKeyJWIAWMXSMVLASE-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.01
Rot. Bonds6

About N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide

N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 135854379) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID135854379
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILES[H]/N=C(\N)c1c[nH]c2ccc(CCNC(=O)c3ccc(-n4cccn4)nc3)cc12
InChIInChI=1S/C20H19N7O/c21-19(22)16-12-24-17-4-2-13(10-15(16)17)6-8-23-20(28)14-3-5-18(25-11-14)27-9-1-7-26-27/h1-5,7,9-12,24H,6,8H2,(H3,21,22)(H,23,28)
InChIKeyJWIAWMXSMVLASE-UHFFFAOYSA-N
XLogP2.01
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-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 N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 135854379) is N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide is [H]/N=C(\N)c1c[nH]c2ccc(CCNC(=O)c3ccc(-n4cccn4)nc3)cc12.
What is the InChIKey of N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is JWIAWMXSMVLASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c21-19(22)16-12-24-17-4-2-13(10-15(16)17)6-8-23-20(28)14-3-5-18(25-11-14)27-9-1-7-26-27/h1-5,7,9-12,24H,6,8H2,(H3,21,22)(H,23,28).
What are the key properties of N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 135854379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).