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

C25H25N9O2 — CID 118388894

IUPAC6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)c(C(=O)NCc2ccncn2)n1
InChIInChI=1S/C25H25N9O2/c1-34-14-21(23(33-34)25(36)29-13-18-8-9-26-15-30-18)32-24(35)20-4-2-3-19(31-20)17-7-10-27-22(11-17)28-12-16-5-6-16/h2-4,7-11,14-16H,5-6,12-13H2,1H3,(H,27,28)(H,29,36)(H,32,35)
InChIKeyQBYCPELIAINIHL-UHFFFAOYSA-N
MW483.54 g/mol
LogP2.67
Rot. Bonds9

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

6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 118388894) has the molecular formula C25H25N9O2 and a molecular weight of 483.54 g/mol. Its IUPAC name is 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID118388894
Molecular FormulaC25H25N9O2
Molecular Weight483.54 g/mol
Exact Mass483.21
IUPAC Name6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)c(C(=O)NCc2ccncn2)n1
InChIInChI=1S/C25H25N9O2/c1-34-14-21(23(33-34)25(36)29-13-18-8-9-26-15-30-18)32-24(35)20-4-2-3-19(31-20)17-7-10-27-22(11-17)28-12-16-5-6-16/h2-4,7-11,14-16H,5-6,12-13H2,1H3,(H,27,28)(H,29,36)(H,32,35)
InChIKeyQBYCPELIAINIHL-UHFFFAOYSA-N
XLogP2.67
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-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-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 118388894) is 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)c(C(=O)NCc2ccncn2)n1.
What is the InChIKey of 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is QBYCPELIAINIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O2/c1-34-14-21(23(33-34)25(36)29-13-18-8-9-26-15-30-18)32-24(35)20-4-2-3-19(31-20)17-7-10-27-22(11-17)28-12-16-5-6-16/h2-4,7-11,14-16H,5-6,12-13H2,1H3,(H,27,28)(H,29,36)(H,32,35).
What are the key properties of 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide?
6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 483.54 g/mol, XLogP of 2.67, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyrimidin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118388894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).