1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one

C25H25F3N6O2 — CID 138715353

IUPAC1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one
SMILESCNc1cc2c(cn1)c(-c1ccc(=O)n(C)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C25H25F3N6O2/c1-29-21-12-19-18(13-31-21)23(15-5-10-22(35)33(2)14-15)32-34(19)16-6-8-17(9-7-16)36-20-4-3-11-30-24(20)25(26,27)28/h3-5,10-14,16-17H,6-9H2,1-2H3,(H,29,31)
InChIKeyVVKRHGJQTSQEGG-UHFFFAOYSA-N
MW498.51 g/mol
LogP4.82
Rot. Bonds5

About 1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one

1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one (PubChem CID 138715353) has the molecular formula C25H25F3N6O2 and a molecular weight of 498.51 g/mol. Its IUPAC name is 1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one
PubChem CID138715353
Molecular FormulaC25H25F3N6O2
Molecular Weight498.51 g/mol
Exact Mass498.20
IUPAC Name1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one
SMILESCNc1cc2c(cn1)c(-c1ccc(=O)n(C)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C25H25F3N6O2/c1-29-21-12-19-18(13-31-21)23(15-5-10-22(35)33(2)14-15)32-34(19)16-6-8-17(9-7-16)36-20-4-3-11-30-24(20)25(26,27)28/h3-5,10-14,16-17H,6-9H2,1-2H3,(H,29,31)
InChIKeyVVKRHGJQTSQEGG-UHFFFAOYSA-N
XLogP4.82
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one (CID 138715353) is 1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one is CNc1cc2c(cn1)c(-c1ccc(=O)n(C)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one?
The InChIKey is VVKRHGJQTSQEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O2/c1-29-21-12-19-18(13-31-21)23(15-5-10-22(35)33(2)14-15)32-34(19)16-6-8-17(9-7-16)36-20-4-3-11-30-24(20)25(26,27)28/h3-5,10-14,16-17H,6-9H2,1-2H3,(H,29,31).
What are the key properties of 1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one?
1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one has a molecular weight of 498.51 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-one is sourced from PubChem (CID 138715353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).