1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one

C34H28F3N5O3 — CID 59484316

IUPAC1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-c2[nH]ncc2OCc2ccccc2)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1
InChIInChI=1S/C34H28F3N5O3/c1-21-13-14-38-28(18-42-15-7-11-27(33(42)43)34(35,36)37)26(21)20-45-29-12-6-10-24-25(16-22(2)40-31(24)29)32-30(17-39-41-32)44-19-23-8-4-3-5-9-23/h3-17H,18-20H2,1-2H3,(H,39,41)
InChIKeyGAXJXIMADXFPRB-UHFFFAOYSA-N
MW611.62 g/mol
LogP7.02
Rot. Bonds9

About 1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one

1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 59484316) has the molecular formula C34H28F3N5O3 and a molecular weight of 611.62 g/mol. Its IUPAC name is 1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID59484316
Molecular FormulaC34H28F3N5O3
Molecular Weight611.62 g/mol
Exact Mass611.21
IUPAC Name1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-c2[nH]ncc2OCc2ccccc2)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1
InChIInChI=1S/C34H28F3N5O3/c1-21-13-14-38-28(18-42-15-7-11-27(33(42)43)34(35,36)37)26(21)20-45-29-12-6-10-24-25(16-22(2)40-31(24)29)32-30(17-39-41-32)44-19-23-8-4-3-5-9-23/h3-17H,18-20H2,1-2H3,(H,39,41)
InChIKeyGAXJXIMADXFPRB-UHFFFAOYSA-N
XLogP7.02
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.62
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one (CID 59484316) is 1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one is Cc1cc(-c2[nH]ncc2OCc2ccccc2)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1.
What is the InChIKey of 1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is GAXJXIMADXFPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28F3N5O3/c1-21-13-14-38-28(18-42-15-7-11-27(33(42)43)34(35,36)37)26(21)20-45-29-12-6-10-24-25(16-22(2)40-31(24)29)32-30(17-39-41-32)44-19-23-8-4-3-5-9-23/h3-17H,18-20H2,1-2H3,(H,39,41).
What are the key properties of 1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 611.62 g/mol, XLogP of 7.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-3-[[2-methyl-4-(4-phenylmethoxy-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 59484316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).