1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol

C21H18ClF3N4O — CID 71200075

IUPAC1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C21H18ClF3N4O/c22-17-11-26-8-5-16(17)20-19(13-1-3-14(4-2-13)21(23,24)25)27-12-18(28-20)29-9-6-15(30)7-10-29/h1-5,8,11-12,15,30H,6-7,9-10H2
InChIKeyGAPWAINHBGGRJM-UHFFFAOYSA-N
MW434.85 g/mol
LogP4.84
Rot. Bonds3

About 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol

1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol (PubChem CID 71200075) has the molecular formula C21H18ClF3N4O and a molecular weight of 434.85 g/mol. Its IUPAC name is 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol
PubChem CID71200075
Molecular FormulaC21H18ClF3N4O
Molecular Weight434.85 g/mol
Exact Mass434.11
IUPAC Name1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C21H18ClF3N4O/c22-17-11-26-8-5-16(17)20-19(13-1-3-14(4-2-13)21(23,24)25)27-12-18(28-20)29-9-6-15(30)7-10-29/h1-5,8,11-12,15,30H,6-7,9-10H2
InChIKeyGAPWAINHBGGRJM-UHFFFAOYSA-N
XLogP4.84
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.85
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol (CID 71200075) is 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol is OC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol?
The InChIKey is GAPWAINHBGGRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O/c22-17-11-26-8-5-16(17)20-19(13-1-3-14(4-2-13)21(23,24)25)27-12-18(28-20)29-9-6-15(30)7-10-29/h1-5,8,11-12,15,30H,6-7,9-10H2.
What are the key properties of 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol?
1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol has a molecular weight of 434.85 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-ol is sourced from PubChem (CID 71200075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).