2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile

C18H19F3N6O — CID 170101402

IUPAC2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cnn(C3CCNCC3O)c2)nc1N1CCC1
InChIInChI=1S/C18H19F3N6O/c19-18(20,21)13-6-14(25-17(12(13)7-22)26-4-1-5-26)11-8-24-27(10-11)15-2-3-23-9-16(15)28/h6,8,10,15-16,23,28H,1-5,9H2
InChIKeyYHVPPEBGSOJYFK-UHFFFAOYSA-N
MW392.39 g/mol
LogP1.94
Rot. Bonds3

About 2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile

2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 170101402) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID170101402
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cnn(C3CCNCC3O)c2)nc1N1CCC1
InChIInChI=1S/C18H19F3N6O/c19-18(20,21)13-6-14(25-17(12(13)7-22)26-4-1-5-26)11-8-24-27(10-11)15-2-3-23-9-16(15)28/h6,8,10,15-16,23,28H,1-5,9H2
InChIKeyYHVPPEBGSOJYFK-UHFFFAOYSA-N
XLogP1.94
TPSA90.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 170101402) is 2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2cnn(C3CCNCC3O)c2)nc1N1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is YHVPPEBGSOJYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c19-18(20,21)13-6-14(25-17(12(13)7-22)26-4-1-5-26)11-8-24-27(10-11)15-2-3-23-9-16(15)28/h6,8,10,15-16,23,28H,1-5,9H2.
What are the key properties of 2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 392.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-6-[1-(3-hydroxypiperidin-4-yl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 170101402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).