N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H21N7O — CID 110101025

IUPACN-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(C3CCCN(c4cc(C)ncn4)C3)ccnc12
InChIInChI=1S/C18H21N7O/c1-12-8-16(22-11-21-12)24-7-3-4-13(10-24)15-5-6-20-17-14(18(26)19-2)9-23-25(15)17/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,19,26)
InChIKeyNVKKOIUBCXTICU-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.57
Rot. Bonds3

About N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110101025) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110101025
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(C3CCCN(c4cc(C)ncn4)C3)ccnc12
InChIInChI=1S/C18H21N7O/c1-12-8-16(22-11-21-12)24-7-3-4-13(10-24)15-5-6-20-17-14(18(26)19-2)9-23-25(15)17/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,19,26)
InChIKeyNVKKOIUBCXTICU-UHFFFAOYSA-N
XLogP1.57
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-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-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110101025) is N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c(C3CCCN(c4cc(C)ncn4)C3)ccnc12.
What is the InChIKey of N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NVKKOIUBCXTICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-12-8-16(22-11-21-12)24-7-3-4-13(10-24)15-5-6-20-17-14(18(26)19-2)9-23-25(15)17/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,19,26).
What are the key properties of N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110101025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).