4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline

C18H12F3N3 — CID 168925849

IUPAC4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline
SMILESCc1cncc2ccc(-c3cnn4cc(C(F)(F)F)ccc34)cc12
InChIInChI=1S/C18H12F3N3/c1-11-7-22-8-13-3-2-12(6-15(11)13)16-9-23-24-10-14(18(19,20)21)4-5-17(16)24/h2-10H,1H3
InChIKeyVMELQRWYDGDCTL-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.88
Rot. Bonds1

About 4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline

4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline (PubChem CID 168925849) has the molecular formula C18H12F3N3 and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline.

Molecular Properties

Compound Name4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline
PubChem CID168925849
Molecular FormulaC18H12F3N3
Molecular Weight327.31 g/mol
Exact Mass327.10
IUPAC Name4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline
SMILESCc1cncc2ccc(-c3cnn4cc(C(F)(F)F)ccc34)cc12
InChIInChI=1S/C18H12F3N3/c1-11-7-22-8-13-3-2-12(6-15(11)13)16-9-23-24-10-14(18(19,20)21)4-5-17(16)24/h2-10H,1H3
InChIKeyVMELQRWYDGDCTL-UHFFFAOYSA-N
XLogP4.88
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline?
The IUPAC name of 4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline (CID 168925849) is 4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline.
What is the SMILES notation for 4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline?
The canonical SMILES for 4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline is Cc1cncc2ccc(-c3cnn4cc(C(F)(F)F)ccc34)cc12.
What is the InChIKey of 4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline?
The InChIKey is VMELQRWYDGDCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3/c1-11-7-22-8-13-3-2-12(6-15(11)13)16-9-23-24-10-14(18(19,20)21)4-5-17(16)24/h2-10H,1H3.
What are the key properties of 4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline?
4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline has a molecular weight of 327.31 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]isoquinoline is sourced from PubChem (CID 168925849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).