2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol

C16H18F3N7O — CID 174586062

IUPAC2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol
SMILESOC1C(n2cnc(C(F)(F)F)c2)=CNN1c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H18F3N7O/c17-16(18,19)12-8-25(10-22-12)11-7-23-26(15(11)27)14-6-13(20-9-21-14)24-4-2-1-3-5-24/h6-10,15,23,27H,1-5H2
InChIKeySVHXQSHKHIEOIP-UHFFFAOYSA-N
MW381.36 g/mol
LogP1.82
Rot. Bonds3

About 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol

2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol (PubChem CID 174586062) has the molecular formula C16H18F3N7O and a molecular weight of 381.36 g/mol. Its IUPAC name is 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol.

Molecular Properties

Compound Name2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol
PubChem CID174586062
Molecular FormulaC16H18F3N7O
Molecular Weight381.36 g/mol
Exact Mass381.15
IUPAC Name2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol
SMILESOC1C(n2cnc(C(F)(F)F)c2)=CNN1c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H18F3N7O/c17-16(18,19)12-8-25(10-22-12)11-7-23-26(15(11)27)14-6-13(20-9-21-14)24-4-2-1-3-5-24/h6-10,15,23,27H,1-5H2
InChIKeySVHXQSHKHIEOIP-UHFFFAOYSA-N
XLogP1.82
TPSA82.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride
CID 174586054
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
2-[5-(hydroxymethyl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazole-3-carbaldehyde
CID 174601228
[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53171940
2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133387919
trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133495426
1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
CID 174573496
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 87595026
1-cyclobutyl-4-(trifluoromethyl)imidazole
CID 176717540
6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912397
4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 122282293

Frequently Asked Questions

What is the IUPAC name of 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol?
The IUPAC name of 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol (CID 174586062) is 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol.
What is the SMILES notation for 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol?
The canonical SMILES for 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol is OC1C(n2cnc(C(F)(F)F)c2)=CNN1c1cc(N2CCCCC2)ncn1.
What is the InChIKey of 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol?
The InChIKey is SVHXQSHKHIEOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7O/c17-16(18,19)12-8-25(10-22-12)11-7-23-26(15(11)27)14-6-13(20-9-21-14)24-4-2-1-3-5-24/h6-10,15,23,27H,1-5H2.
What are the key properties of 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol?
2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol has a molecular weight of 381.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol is sourced from PubChem (CID 174586062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).