6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C21H22N8O2 — CID 70116530

IUPAC6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)NC2CC2)n1
InChIInChI=1S/C21H22N8O2/c1-29-10-17(19(28-29)21(31)25-13-4-5-13)27-20(30)18-16(24-14-8-22-11-23-9-14)7-6-15(26-18)12-2-3-12/h6-13,24H,2-5H2,1H3,(H,25,31)(H,27,30)
InChIKeyUSJPQAIYKNUBEC-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.37
Rot. Bonds7

About 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 70116530) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID70116530
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)NC2CC2)n1
InChIInChI=1S/C21H22N8O2/c1-29-10-17(19(28-29)21(31)25-13-4-5-13)27-20(30)18-16(24-14-8-22-11-23-9-14)7-6-15(26-18)12-2-3-12/h6-13,24H,2-5H2,1H3,(H,25,31)(H,27,30)
InChIKeyUSJPQAIYKNUBEC-UHFFFAOYSA-N
XLogP2.37
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)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-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 70116530) is 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)NC2CC2)n1.
What is the InChIKey of 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is USJPQAIYKNUBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-29-10-17(19(28-29)21(31)25-13-4-5-13)27-20(30)18-16(24-14-8-22-11-23-9-14)7-6-15(26-18)12-2-3-12/h6-13,24H,2-5H2,1H3,(H,25,31)(H,27,30).
What are the key properties of 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 70116530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).