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

C24H20ClF3N4O — CID 66786902

IUPAC7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(Oc2ccc(-c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)cc2Cl)c(C)n1
InChIInChI=1S/C24H20ClF3N4O/c1-13-3-7-19(14(2)29-13)33-20-8-6-16(12-18(20)25)17-9-10-32-21(11-15-4-5-15)30-31-23(32)22(17)24(26,27)28/h3,6-10,12,15H,4-5,11H2,1-2H3
InChIKeyKYHXMYPHFPFAIC-UHFFFAOYSA-N
MW472.90 g/mol
LogP6.83
Rot. Bonds5

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

7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66786902) has the molecular formula C24H20ClF3N4O and a molecular weight of 472.90 g/mol. Its IUPAC name is 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66786902
Molecular FormulaC24H20ClF3N4O
Molecular Weight472.90 g/mol
Exact Mass472.13
IUPAC Name7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(Oc2ccc(-c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)cc2Cl)c(C)n1
InChIInChI=1S/C24H20ClF3N4O/c1-13-3-7-19(14(2)29-13)33-20-8-6-16(12-18(20)25)17-9-10-32-21(11-15-4-5-15)30-31-23(32)22(17)24(26,27)28/h3,6-10,12,15H,4-5,11H2,1-2H3
InChIKeyKYHXMYPHFPFAIC-UHFFFAOYSA-N
XLogP6.83
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.90
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 66786902) is 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc(Oc2ccc(-c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)cc2Cl)c(C)n1.
What is the InChIKey of 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KYHXMYPHFPFAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4O/c1-13-3-7-19(14(2)29-13)33-20-8-6-16(12-18(20)25)17-9-10-32-21(11-15-4-5-15)30-31-23(32)22(17)24(26,27)28/h3,6-10,12,15H,4-5,11H2,1-2H3.
What are the key properties of 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 472.90 g/mol, XLogP of 6.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66786902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).