3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline

C25H18F3N5O — CID 24829845

IUPAC3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline
SMILESCc1cc2ccccc2nc1Oc1ccc(-c2nn(CC(F)(F)F)cc2-c2ccncc2)nc1
InChIInChI=1S/C25H18F3N5O/c1-16-12-18-4-2-3-5-21(18)31-24(16)34-19-6-7-22(30-13-19)23-20(17-8-10-29-11-9-17)14-33(32-23)15-25(26,27)28/h2-14H,15H2,1H3
InChIKeyFSBBUKWPZHFBPI-UHFFFAOYSA-N
MW461.45 g/mol
LogP6.22
Rot. Bonds5

About 3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline

3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline (PubChem CID 24829845) has the molecular formula C25H18F3N5O and a molecular weight of 461.45 g/mol. Its IUPAC name is 3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline.

Molecular Properties

Compound Name3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline
PubChem CID24829845
Molecular FormulaC25H18F3N5O
Molecular Weight461.45 g/mol
Exact Mass461.15
IUPAC Name3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline
SMILESCc1cc2ccccc2nc1Oc1ccc(-c2nn(CC(F)(F)F)cc2-c2ccncc2)nc1
InChIInChI=1S/C25H18F3N5O/c1-16-12-18-4-2-3-5-21(18)31-24(16)34-19-6-7-22(30-13-19)23-20(17-8-10-29-11-9-17)14-33(32-23)15-25(26,27)28/h2-14H,15H2,1H3
InChIKeyFSBBUKWPZHFBPI-UHFFFAOYSA-N
XLogP6.22
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.45
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline with MolForge

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Related Compounds

CID 11581936
CID 11581936
CID 11648276
CID 11648276
CID 11610553
CID 11610553
CID 25019714
CID 25019714
CID 11682906
CID 11682906
CID 44141871
CID 44141871
CID 122412737
CID 122412737
CID 11327794
CID 11327794
CID 11545641
CID 11545641
CID 11655119
CID 11655119
CID 11661426
CID 11661426
CID 11668015
CID 11668015

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline?
The IUPAC name of 3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline (CID 24829845) is 3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline.
What is the SMILES notation for 3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline?
The canonical SMILES for 3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline is Cc1cc2ccccc2nc1Oc1ccc(-c2nn(CC(F)(F)F)cc2-c2ccncc2)nc1.
What is the InChIKey of 3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline?
The InChIKey is FSBBUKWPZHFBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O/c1-16-12-18-4-2-3-5-21(18)31-24(16)34-19-6-7-22(30-13-19)23-20(17-8-10-29-11-9-17)14-33(32-23)15-25(26,27)28/h2-14H,15H2,1H3.
What are the key properties of 3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline?
3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline has a molecular weight of 461.45 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[6-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]oxy]quinoline is sourced from PubChem (CID 24829845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).