1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

C20H17F3N4O — CID 56942970

IUPAC1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1C(F)(F)F)N1CCc2[nH]nc(-c3ccncc3)c2C1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)16-4-2-1-3-14(16)11-18(28)27-10-7-17-15(12-27)19(26-25-17)13-5-8-24-9-6-13/h1-6,8-9H,7,10-12H2,(H,25,26)
InChIKeyBTIIHOLSGOUHFU-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.62
Rot. Bonds3

About 1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 56942970) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID56942970
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1C(F)(F)F)N1CCc2[nH]nc(-c3ccncc3)c2C1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)16-4-2-1-3-14(16)11-18(28)27-10-7-17-15(12-27)19(26-25-17)13-5-8-24-9-6-13/h1-6,8-9H,7,10-12H2,(H,25,26)
InChIKeyBTIIHOLSGOUHFU-UHFFFAOYSA-N
XLogP3.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (CID 56942970) is 1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccccc1C(F)(F)F)N1CCc2[nH]nc(-c3ccncc3)c2C1.
What is the InChIKey of 1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is BTIIHOLSGOUHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c21-20(22,23)16-4-2-1-3-14(16)11-18(28)27-10-7-17-15(12-27)19(26-25-17)13-5-8-24-9-6-13/h1-6,8-9H,7,10-12H2,(H,25,26).
What are the key properties of 1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 386.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 56942970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).