N-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H16N8O2 — CID 1252030

IUPACN-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3cccnc23)nn1CC(=O)Nc1cccnc1
InChIInChI=1S/C18H16N8O2/c1-12-8-15(23-18(28)14-10-21-25-7-3-6-20-17(14)25)24-26(12)11-16(27)22-13-4-2-5-19-9-13/h2-10H,11H2,1H3,(H,22,27)(H,23,24,28)
InChIKeyVFLMDYOOUNVWTD-UHFFFAOYSA-N
MW376.38 g/mol
LogP1.52
Rot. Bonds5

About N-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1252030) has the molecular formula C18H16N8O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1252030
Molecular FormulaC18H16N8O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3cccnc23)nn1CC(=O)Nc1cccnc1
InChIInChI=1S/C18H16N8O2/c1-12-8-15(23-18(28)14-10-21-25-7-3-6-20-17(14)25)24-26(12)11-16(27)22-13-4-2-5-19-9-13/h2-10H,11H2,1H3,(H,22,27)(H,23,24,28)
InChIKeyVFLMDYOOUNVWTD-UHFFFAOYSA-N
XLogP1.52
TPSA119.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-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-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1252030) is N-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnn3cccnc23)nn1CC(=O)Nc1cccnc1.
What is the InChIKey of N-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VFLMDYOOUNVWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O2/c1-12-8-15(23-18(28)14-10-21-25-7-3-6-20-17(14)25)24-26(12)11-16(27)22-13-4-2-5-19-9-13/h2-10H,11H2,1H3,(H,22,27)(H,23,24,28).
What are the key properties of N-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1252030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).