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

C21H22N8O2 — CID 58548268

IUPACN-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)N2CCC2)n1
InChIInChI=1S/C21H22N8O2/c1-28-11-17(19(27-28)21(31)29-7-2-8-29)26-20(30)18-16(24-14-9-22-12-23-10-14)6-5-15(25-18)13-3-4-13/h5-6,9-13,24H,2-4,7-8H2,1H3,(H,26,30)
InChIKeyLAGTZJBADXSBMN-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.32
Rot. Bonds6

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

N-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548268) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548268
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC NameN-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)N2CCC2)n1
InChIInChI=1S/C21H22N8O2/c1-28-11-17(19(27-28)21(31)29-7-2-8-29)26-20(30)18-16(24-14-9-22-12-23-10-14)6-5-15(25-18)13-3-4-13/h5-6,9-13,24H,2-4,7-8H2,1H3,(H,26,30)
InChIKeyLAGTZJBADXSBMN-UHFFFAOYSA-N
XLogP2.32
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-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 N-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548268) is N-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)N2CCC2)n1.
What is the InChIKey of N-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is LAGTZJBADXSBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-28-11-17(19(27-28)21(31)29-7-2-8-29)26-20(30)18-16(24-14-9-22-12-23-10-14)6-5-15(25-18)13-3-4-13/h5-6,9-13,24H,2-4,7-8H2,1H3,(H,26,30).
What are the key properties of N-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).