N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H19N7O — CID 110101024

IUPACN-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(C3CCCN(c4ncccn4)C3)ccnc12
InChIInChI=1S/C17H19N7O/c1-18-16(25)13-10-22-24-14(5-8-19-15(13)24)12-4-2-9-23(11-12)17-20-6-3-7-21-17/h3,5-8,10,12H,2,4,9,11H2,1H3,(H,18,25)
InChIKeyTVTSISUZCOLBRP-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.26
Rot. Bonds3

About N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110101024) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110101024
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(C3CCCN(c4ncccn4)C3)ccnc12
InChIInChI=1S/C17H19N7O/c1-18-16(25)13-10-22-24-14(5-8-19-15(13)24)12-4-2-9-23(11-12)17-20-6-3-7-21-17/h3,5-8,10,12H,2,4,9,11H2,1H3,(H,18,25)
InChIKeyTVTSISUZCOLBRP-UHFFFAOYSA-N
XLogP1.26
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110101024) is N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c(C3CCCN(c4ncccn4)C3)ccnc12.
What is the InChIKey of N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is TVTSISUZCOLBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-18-16(25)13-10-22-24-14(5-8-19-15(13)24)12-4-2-9-23(11-12)17-20-6-3-7-21-17/h3,5-8,10,12H,2,4,9,11H2,1H3,(H,18,25).
What are the key properties of N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.26, 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-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110101024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).