N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide

C17H22N8O — CID 175650530

IUPACN,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3cnn(C)c3)CC2)n2ncnc2n1
InChIInChI=1S/C17H22N8O/c1-12-8-15(25-17(21-12)18-11-20-25)24-6-4-14(5-7-24)23(3)16(26)13-9-19-22(2)10-13/h8-11,14H,4-7H2,1-3H3
InChIKeyHVNJHDUPSYFECX-UHFFFAOYSA-N
MW354.42 g/mol
LogP0.91
Rot. Bonds3

About N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide

N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 175650530) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID175650530
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3cnn(C)c3)CC2)n2ncnc2n1
InChIInChI=1S/C17H22N8O/c1-12-8-15(25-17(21-12)18-11-20-25)24-6-4-14(5-7-24)23(3)16(26)13-9-19-22(2)10-13/h8-11,14H,4-7H2,1-3H3
InChIKeyHVNJHDUPSYFECX-UHFFFAOYSA-N
XLogP0.91
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide (CID 175650530) is N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide is Cc1cc(N2CCC(N(C)C(=O)c3cnn(C)c3)CC2)n2ncnc2n1.
What is the InChIKey of N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is HVNJHDUPSYFECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-12-8-15(25-17(21-12)18-11-20-25)24-6-4-14(5-7-24)23(3)16(26)13-9-19-22(2)10-13/h8-11,14H,4-7H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide?
N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 175650530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).