2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

C17H12F3N5O — CID 118517941

IUPAC2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1c2cn(-c3cccnc3)nc2CCN1c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)15-8-11(3-6-22-15)24-7-4-14-13(16(24)26)10-25(23-14)12-2-1-5-21-9-12/h1-3,5-6,8-10H,4,7H2
InChIKeyIRHSEQHCFJXHED-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.88
Rot. Bonds2

About 2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 118517941) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID118517941
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1c2cn(-c3cccnc3)nc2CCN1c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)15-8-11(3-6-22-15)24-7-4-14-13(16(24)26)10-25(23-14)12-2-1-5-21-9-12/h1-3,5-6,8-10H,4,7H2
InChIKeyIRHSEQHCFJXHED-UHFFFAOYSA-N
XLogP2.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 118517941) is 2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is O=C1c2cn(-c3cccnc3)nc2CCN1c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is IRHSEQHCFJXHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c18-17(19,20)15-8-11(3-6-22-15)24-7-4-14-13(16(24)26)10-25(23-14)12-2-1-5-21-9-12/h1-3,5-6,8-10H,4,7H2.
What are the key properties of 2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 359.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 118517941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).