6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide

C21H25ClN8O3 — CID 122472125

IUPAC6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cnn(CCCl)c3)n2)c(C(=O)NCC2CNCCO2)n1
InChIInChI=1S/C21H25ClN8O3/c1-29-13-18(19(28-29)21(32)24-11-15-10-23-6-8-33-15)27-20(31)17-4-2-3-16(26-17)14-9-25-30(12-14)7-5-22/h2-4,9,12-13,15,23H,5-8,10-11H2,1H3,(H,24,32)(H,27,31)
InChIKeyGQNODYUPAHJVKR-UHFFFAOYSA-N
MW472.94 g/mol
LogP0.89
Rot. Bonds8

About 6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide

6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 122472125) has the molecular formula C21H25ClN8O3 and a molecular weight of 472.94 g/mol. Its IUPAC name is 6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID122472125
Molecular FormulaC21H25ClN8O3
Molecular Weight472.94 g/mol
Exact Mass472.17
IUPAC Name6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cnn(CCCl)c3)n2)c(C(=O)NCC2CNCCO2)n1
InChIInChI=1S/C21H25ClN8O3/c1-29-13-18(19(28-29)21(32)24-11-15-10-23-6-8-33-15)27-20(31)17-4-2-3-16(26-17)14-9-25-30(12-14)7-5-22/h2-4,9,12-13,15,23H,5-8,10-11H2,1H3,(H,24,32)(H,27,31)
InChIKeyGQNODYUPAHJVKR-UHFFFAOYSA-N
XLogP0.89
TPSA127.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.94
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-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-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 122472125) is 6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(-c3cnn(CCCl)c3)n2)c(C(=O)NCC2CNCCO2)n1.
What is the InChIKey of 6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is GQNODYUPAHJVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN8O3/c1-29-13-18(19(28-29)21(32)24-11-15-10-23-6-8-33-15)27-20(31)17-4-2-3-16(26-17)14-9-25-30(12-14)7-5-22/h2-4,9,12-13,15,23H,5-8,10-11H2,1H3,(H,24,32)(H,27,31).
What are the key properties of 6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide?
6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 472.94 g/mol, XLogP of 0.89, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122472125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).