1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol

C19H16F3N7O — CID 72714761

IUPAC1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol
SMILESOC1CN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1
InChIInChI=1S/C19H16F3N7O/c20-19(21,22)11-28-8-13(7-24-28)15-4-16-12(5-23-15)6-25-29(16)18-3-1-2-17(26-18)27-9-14(30)10-27/h1-8,14,30H,9-11H2
InChIKeyUPNOOQUTVLYBIK-UHFFFAOYSA-N
MW415.38 g/mol
LogP2.42
Rot. Bonds4

About 1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol

1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol (PubChem CID 72714761) has the molecular formula C19H16F3N7O and a molecular weight of 415.38 g/mol. Its IUPAC name is 1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol
PubChem CID72714761
Molecular FormulaC19H16F3N7O
Molecular Weight415.38 g/mol
Exact Mass415.14
IUPAC Name1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol
SMILESOC1CN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1
InChIInChI=1S/C19H16F3N7O/c20-19(21,22)11-28-8-13(7-24-28)15-4-16-12(5-23-15)6-25-29(16)18-3-1-2-17(26-18)27-9-14(30)10-27/h1-8,14,30H,9-11H2
InChIKeyUPNOOQUTVLYBIK-UHFFFAOYSA-N
XLogP2.42
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol?
The IUPAC name of 1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol (CID 72714761) is 1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol.
What is the SMILES notation for 1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol?
The canonical SMILES for 1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol is OC1CN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1.
What is the InChIKey of 1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol?
The InChIKey is UPNOOQUTVLYBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O/c20-19(21,22)11-28-8-13(7-24-28)15-4-16-12(5-23-15)6-25-29(16)18-3-1-2-17(26-18)27-9-14(30)10-27/h1-8,14,30H,9-11H2.
What are the key properties of 1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol?
1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol has a molecular weight of 415.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol is sourced from PubChem (CID 72714761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).