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

C61H56F6N10O5 — CID 87463357

IUPAC1-[[4-methyl-3-[[2-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-c2[nH]ncc2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1.Cc1cc(-c2nn(C3CCCCO3)cc2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1
InChIInChI=1S/C33H32F3N5O3.C28H24F3N5O2/c1-20-12-13-37-27(18-40-14-7-9-26(32(40)42)33(34,35)36)25(20)19-44-28-10-6-8-23-24(16-22(3)38-31(23)28)30-21(2)17-41(39-30)29-11-4-5-15-43-29;1-16-9-10-32-23(14-36-11-5-7-22(27(36)37)28(29,30)31)21(16)15-38-24-8-4-6-19-20(12-18(3)34-26(19)24)25-17(2)13-33-35-25/h6-10,12-14,16-17,29H,4-5,11,15,18-19H2,1-3H3;4-13H,14-15H2,1-3H3,(H,33,35)
InChIKeyFUILIRYAFOMZLB-UHFFFAOYSA-N
MW1123.17 g/mol
LogP12.68
Rot. Bonds13

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

1-[[4-methyl-3-[[2-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 87463357) has the molecular formula C61H56F6N10O5 and a molecular weight of 1123.17 g/mol. Its IUPAC name is 1-[[4-methyl-3-[[2-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-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-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID87463357
Molecular FormulaC61H56F6N10O5
Molecular Weight1123.17 g/mol
Exact Mass1122.43
IUPAC Name1-[[4-methyl-3-[[2-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-c2[nH]ncc2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1.Cc1cc(-c2nn(C3CCCCO3)cc2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1
InChIInChI=1S/C33H32F3N5O3.C28H24F3N5O2/c1-20-12-13-37-27(18-40-14-7-9-26(32(40)42)33(34,35)36)25(20)19-44-28-10-6-8-23-24(16-22(3)38-31(23)28)30-21(2)17-41(39-30)29-11-4-5-15-43-29;1-16-9-10-32-23(14-36-11-5-7-22(27(36)37)28(29,30)31)21(16)15-38-24-8-4-6-19-20(12-18(3)34-26(19)24)25-17(2)13-33-35-25/h6-10,12-14,16-17,29H,4-5,11,15,18-19H2,1-3H3;4-13H,14-15H2,1-3H3,(H,33,35)
InChIKeyFUILIRYAFOMZLB-UHFFFAOYSA-N
XLogP12.68
TPSA169.75 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001123.17
LogP ≤ 512.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-3-[[2-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-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-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one (CID 87463357) is 1-[[4-methyl-3-[[2-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-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-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-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-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one is Cc1cc(-c2[nH]ncc2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1.Cc1cc(-c2nn(C3CCCCO3)cc2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1.
What is the InChIKey of 1-[[4-methyl-3-[[2-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is FUILIRYAFOMZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F3N5O3.C28H24F3N5O2/c1-20-12-13-37-27(18-40-14-7-9-26(32(40)42)33(34,35)36)25(20)19-44-28-10-6-8-23-24(16-22(3)38-31(23)28)30-21(2)17-41(39-30)29-11-4-5-15-43-29;1-16-9-10-32-23(14-36-11-5-7-22(27(36)37)28(29,30)31)21(16)15-38-24-8-4-6-19-20(12-18(3)34-26(19)24)25-17(2)13-33-35-25/h6-10,12-14,16-17,29H,4-5,11,15,18-19H2,1-3H3;4-13H,14-15H2,1-3H3,(H,33,35).
What are the key properties of 1-[[4-methyl-3-[[2-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[[4-methyl-3-[[2-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 1123.17 g/mol, XLogP of 12.68, 13 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-3-[[2-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 87463357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).