1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide

C17H21N9O — CID 56764969

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(N3CCCC(C(=O)Nn4cnnc4)C3)ncn2)n1
InChIInChI=1S/C17H21N9O/c1-12-6-13(2)26(22-12)16-7-15(18-9-19-16)24-5-3-4-14(8-24)17(27)23-25-10-20-21-11-25/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,23,27)
InChIKeyBRGRNTXHTLVHKQ-UHFFFAOYSA-N
MW367.42 g/mol
LogP0.86
Rot. Bonds4

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide (PubChem CID 56764969) has the molecular formula C17H21N9O and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide
PubChem CID56764969
Molecular FormulaC17H21N9O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(N3CCCC(C(=O)Nn4cnnc4)C3)ncn2)n1
InChIInChI=1S/C17H21N9O/c1-12-6-13(2)26(22-12)16-7-15(18-9-19-16)24-5-3-4-14(8-24)17(27)23-25-10-20-21-11-25/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,23,27)
InChIKeyBRGRNTXHTLVHKQ-UHFFFAOYSA-N
XLogP0.86
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-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 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide (CID 56764969) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide is Cc1cc(C)n(-c2cc(N3CCCC(C(=O)Nn4cnnc4)C3)ncn2)n1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide?
The InChIKey is BRGRNTXHTLVHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N9O/c1-12-6-13(2)26(22-12)16-7-15(18-9-19-16)24-5-3-4-14(8-24)17(27)23-25-10-20-21-11-25/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,23,27).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide?
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,2,4-triazol-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56764969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).