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

C26H27F3N6O2 — CID 138715407

IUPAC4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one
SMILESCCNc1cc2c(cn1)c(-c1ccn(C)c(=O)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C26H27F3N6O2/c1-3-30-22-14-20-19(15-32-22)24(16-10-12-34(2)23(36)13-16)33-35(20)17-6-8-18(9-7-17)37-21-5-4-11-31-25(21)26(27,28)29/h4-5,10-15,17-18H,3,6-9H2,1-2H3,(H,30,32)
InChIKeyIULYOVXNNYHMQO-UHFFFAOYSA-N
MW512.54 g/mol
LogP5.21
Rot. Bonds6

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

4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one (PubChem CID 138715407) has the molecular formula C26H27F3N6O2 and a molecular weight of 512.54 g/mol. Its IUPAC name is 4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one
PubChem CID138715407
Molecular FormulaC26H27F3N6O2
Molecular Weight512.54 g/mol
Exact Mass512.21
IUPAC Name4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one
SMILESCCNc1cc2c(cn1)c(-c1ccn(C)c(=O)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C26H27F3N6O2/c1-3-30-22-14-20-19(15-32-22)24(16-10-12-34(2)23(36)13-16)33-35(20)17-6-8-18(9-7-17)37-21-5-4-11-31-25(21)26(27,28)29/h4-5,10-15,17-18H,3,6-9H2,1-2H3,(H,30,32)
InChIKeyIULYOVXNNYHMQO-UHFFFAOYSA-N
XLogP5.21
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one (CID 138715407) is 4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one is CCNc1cc2c(cn1)c(-c1ccn(C)c(=O)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1.
What is the InChIKey of 4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one?
The InChIKey is IULYOVXNNYHMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O2/c1-3-30-22-14-20-19(15-32-22)24(16-10-12-34(2)23(36)13-16)33-35(20)17-6-8-18(9-7-17)37-21-5-4-11-31-25(21)26(27,28)29/h4-5,10-15,17-18H,3,6-9H2,1-2H3,(H,30,32).
What are the key properties of 4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one?
4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one has a molecular weight of 512.54 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138715407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).