3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C24H20F4N4O2 — CID 66784675

IUPAC3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(COc2ccc(-c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)cc2F)cn1
InChIInChI=1S/C24H20F4N4O2/c1-33-21-7-4-15(12-29-21)13-34-19-6-5-16(11-18(19)25)17-8-9-32-20(10-14-2-3-14)30-31-23(32)22(17)24(26,27)28/h4-9,11-12,14H,2-3,10,13H2,1H3
InChIKeyKSFORQNIMBTFKH-UHFFFAOYSA-N
MW472.44 g/mol
LogP5.49
Rot. Bonds7

About 3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66784675) has the molecular formula C24H20F4N4O2 and a molecular weight of 472.44 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66784675
Molecular FormulaC24H20F4N4O2
Molecular Weight472.44 g/mol
Exact Mass472.15
IUPAC Name3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(COc2ccc(-c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)cc2F)cn1
InChIInChI=1S/C24H20F4N4O2/c1-33-21-7-4-15(12-29-21)13-34-19-6-5-16(11-18(19)25)17-8-9-32-20(10-14-2-3-14)30-31-23(32)22(17)24(26,27)28/h4-9,11-12,14H,2-3,10,13H2,1H3
InChIKeyKSFORQNIMBTFKH-UHFFFAOYSA-N
XLogP5.49
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 66784675) is 3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(COc2ccc(-c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)cc2F)cn1.
What is the InChIKey of 3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KSFORQNIMBTFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O2/c1-33-21-7-4-15(12-29-21)13-34-19-6-5-16(11-18(19)25)17-8-9-32-20(10-14-2-3-14)30-31-23(32)22(17)24(26,27)28/h4-9,11-12,14H,2-3,10,13H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 472.44 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66784675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).