6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide

C26H26N8O2 — CID 155552158

IUPAC6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)c(C(=O)NCc2ccncc2)n1
InChIInChI=1S/C26H26N8O2/c1-34-16-22(24(33-34)26(36)30-15-18-7-10-27-11-8-18)32-25(35)21-4-2-3-20(31-21)19-9-12-28-23(13-19)29-14-17-5-6-17/h2-4,7-13,16-17H,5-6,14-15H2,1H3,(H,28,29)(H,30,36)(H,32,35)
InChIKeyZRASKGLAQBRKQL-UHFFFAOYSA-N
MW482.55 g/mol
LogP3.28
Rot. Bonds9

About 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide

6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 155552158) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID155552158
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)c(C(=O)NCc2ccncc2)n1
InChIInChI=1S/C26H26N8O2/c1-34-16-22(24(33-34)26(36)30-15-18-7-10-27-11-8-18)32-25(35)21-4-2-3-20(31-21)19-9-12-28-23(13-19)29-14-17-5-6-17/h2-4,7-13,16-17H,5-6,14-15H2,1H3,(H,28,29)(H,30,36)(H,32,35)
InChIKeyZRASKGLAQBRKQL-UHFFFAOYSA-N
XLogP3.28
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-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 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 155552158) is 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)c(C(=O)NCc2ccncc2)n1.
What is the InChIKey of 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is ZRASKGLAQBRKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-34-16-22(24(33-34)26(36)30-15-18-7-10-27-11-8-18)32-25(35)21-4-2-3-20(31-21)19-9-12-28-23(13-19)29-14-17-5-6-17/h2-4,7-13,16-17H,5-6,14-15H2,1H3,(H,28,29)(H,30,36)(H,32,35).
What are the key properties of 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide?
6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 3.28, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155552158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).