3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C25H20F4N4O — CID 66784572

IUPAC3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cc(-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)ccc1Oc1ccnc(C2CC2)c1
InChIInChI=1S/C25H20F4N4O/c26-19-12-16(5-6-21(19)34-17-7-9-30-20(13-17)15-3-4-15)18-8-10-33-22(11-14-1-2-14)31-32-24(33)23(18)25(27,28)29/h5-10,12-15H,1-4,11H2
InChIKeyJPUBJSRVNYOIBK-UHFFFAOYSA-N
MW468.45 g/mol
LogP6.57
Rot. Bonds6

About 3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66784572) has the molecular formula C25H20F4N4O and a molecular weight of 468.45 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66784572
Molecular FormulaC25H20F4N4O
Molecular Weight468.45 g/mol
Exact Mass468.16
IUPAC Name3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cc(-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)ccc1Oc1ccnc(C2CC2)c1
InChIInChI=1S/C25H20F4N4O/c26-19-12-16(5-6-21(19)34-17-7-9-30-20(13-17)15-3-4-15)18-8-10-33-22(11-14-1-2-14)31-32-24(33)23(18)25(27,28)29/h5-10,12-15H,1-4,11H2
InChIKeyJPUBJSRVNYOIBK-UHFFFAOYSA-N
XLogP6.57
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.45
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 66784572) is 3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is Fc1cc(-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)ccc1Oc1ccnc(C2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JPUBJSRVNYOIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O/c26-19-12-16(5-6-21(19)34-17-7-9-30-20(13-17)15-3-4-15)18-8-10-33-22(11-14-1-2-14)31-32-24(33)23(18)25(27,28)29/h5-10,12-15H,1-4,11H2.
What are the key properties of 3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 468.45 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66784572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).