1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

C24H26F3N7O2 — CID 138682864

IUPAC1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(OC)nc2C(F)(F)F)CC1
InChIInChI=1S/C24H26F3N7O2/c1-28-20-10-18-17(12-29-20)22(14-11-30-33(2)13-14)32-34(18)15-4-6-16(7-5-15)36-19-8-9-21(35-3)31-23(19)24(25,26)27/h8-13,15-16H,4-7H2,1-3H3,(H,28,29)
InChIKeyAEZKBVGBJHBFSN-UHFFFAOYSA-N
MW501.51 g/mol
LogP4.86
Rot. Bonds6

About 1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138682864) has the molecular formula C24H26F3N7O2 and a molecular weight of 501.51 g/mol. Its IUPAC name is 1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138682864
Molecular FormulaC24H26F3N7O2
Molecular Weight501.51 g/mol
Exact Mass501.21
IUPAC Name1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(OC)nc2C(F)(F)F)CC1
InChIInChI=1S/C24H26F3N7O2/c1-28-20-10-18-17(12-29-20)22(14-11-30-33(2)13-14)32-34(18)15-4-6-16(7-5-15)36-19-8-9-21(35-3)31-23(19)24(25,26)27/h8-13,15-16H,4-7H2,1-3H3,(H,28,29)
InChIKeyAEZKBVGBJHBFSN-UHFFFAOYSA-N
XLogP4.86
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138682864) is 1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(OC)nc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is AEZKBVGBJHBFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O2/c1-28-20-10-18-17(12-29-20)22(14-11-30-33(2)13-14)32-34(18)15-4-6-16(7-5-15)36-19-8-9-21(35-3)31-23(19)24(25,26)27/h8-13,15-16H,4-7H2,1-3H3,(H,28,29).
What are the key properties of 1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 501.51 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138682864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).