[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C22H24F3N9O — CID 90600766

IUPAC[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCN(c2cc(-n3cncn3)ncn2)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C22H24F3N9O/c23-22(24,25)17-3-4-18(27-11-17)31-6-8-32(9-7-31)21(35)16-2-1-5-33(12-16)19-10-20(29-14-28-19)34-15-26-13-30-34/h3-4,10-11,13-16H,1-2,5-9,12H2
InChIKeySUOWVNVPDJLIGS-UHFFFAOYSA-N
MW487.49 g/mol
LogP2.04
Rot. Bonds4

About [1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 90600766) has the molecular formula C22H24F3N9O and a molecular weight of 487.49 g/mol. Its IUPAC name is [1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID90600766
Molecular FormulaC22H24F3N9O
Molecular Weight487.49 g/mol
Exact Mass487.21
IUPAC Name[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCN(c2cc(-n3cncn3)ncn2)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C22H24F3N9O/c23-22(24,25)17-3-4-18(27-11-17)31-6-8-32(9-7-31)21(35)16-2-1-5-33(12-16)19-10-20(29-14-28-19)34-15-26-13-30-34/h3-4,10-11,13-16H,1-2,5-9,12H2
InChIKeySUOWVNVPDJLIGS-UHFFFAOYSA-N
XLogP2.04
TPSA96.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone 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

(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 90600764
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 90600783
[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 90600903
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90600677
piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90600945
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 90600739
(4-cyclobutylpiperazin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90601256
1-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 121168434
[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90610343
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90600327
N-cyclopentyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600584
1-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90600379

Frequently Asked Questions

What is the IUPAC name of [1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 90600766) is [1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(C1CCCN(c2cc(-n3cncn3)ncn2)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of [1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is SUOWVNVPDJLIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N9O/c23-22(24,25)17-3-4-18(27-11-17)31-6-8-32(9-7-31)21(35)16-2-1-5-33(12-16)19-10-20(29-14-28-19)34-15-26-13-30-34/h3-4,10-11,13-16H,1-2,5-9,12H2.
What are the key properties of [1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 487.49 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90600766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).