1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

C19H19N11O — CID 71805453

IUPAC1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(-n2cncn2)ncn1)C1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C19H19N11O/c31-19(27-15-8-17(23-11-21-15)30-13-20-10-26-30)14-2-6-28(7-3-14)16-9-18(24-12-22-16)29-5-1-4-25-29/h1,4-5,8-14H,2-3,6-7H2,(H,21,23,27,31)
InChIKeyDKXKCKJAPFJASA-UHFFFAOYSA-N
MW417.44 g/mol
LogP0.89
Rot. Bonds5

About 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 71805453) has the molecular formula C19H19N11O and a molecular weight of 417.44 g/mol. Its IUPAC name is 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID71805453
Molecular FormulaC19H19N11O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(-n2cncn2)ncn1)C1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C19H19N11O/c31-19(27-15-8-17(23-11-21-15)30-13-20-10-26-30)14-2-6-28(7-3-14)16-9-18(24-12-22-16)29-5-1-4-25-29/h1,4-5,8-14H,2-3,6-7H2,(H,21,23,27,31)
InChIKeyDKXKCKJAPFJASA-UHFFFAOYSA-N
XLogP0.89
TPSA132.43 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.44
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,6-bis(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768406
2-cyclopentyl-N-(2-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)acetamide
CID 42099693
1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(4H-1,2,4-triazol-4-yl)piperidine-3-carboxamide
CID 56764956
1-[6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
CID 72719811
N-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]-(S)-1-[6-(1-imidazolyl)-4-pyrimidinyl]-3-piperidinecarboxamide
CID 97354805
Piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
CID 134796532
N-(2-methylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134798422
N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134800292
1-[4-(Pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide
CID 51104036
8-[1-(2,2-Difluoroethyl)pyrazolo[3,4-d]pyrimidin-6-yl]-2-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 168207470
8-[1-(2,2-Difluoroethyl)pyrazolo[3,4-d]pyrimidin-6-yl]-2-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 168209460
N-pyrazolo[1,5-a]pyrimidin-7-yl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 56491412

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 71805453) is 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(Nc1cc(-n2cncn2)ncn1)C1CCN(c2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is DKXKCKJAPFJASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N11O/c31-19(27-15-8-17(23-11-21-15)30-13-20-10-26-30)14-2-6-28(7-3-14)16-9-18(24-12-22-16)29-5-1-4-25-29/h1,4-5,8-14H,2-3,6-7H2,(H,21,23,27,31).
What are the key properties of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 71805453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).