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

C26H31F3N8O — CID 138715274

IUPAC1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2N(C)C)CC1
InChIInChI=1S/C26H31F3N8O/c1-5-30-22-12-21-19(14-32-22)23(16-13-33-36(4)15-16)34-37(21)17-6-8-18(9-7-17)38-25-24(35(2)3)20(10-11-31-25)26(27,28)29/h10-15,17-18H,5-9H2,1-4H3,(H,30,32)
InChIKeyNWCXYSJSGFQBPH-UHFFFAOYSA-N
MW528.58 g/mol
LogP5.31
Rot. Bonds7

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

1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715274) has the molecular formula C26H31F3N8O and a molecular weight of 528.58 g/mol. Its IUPAC name is 1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715274
Molecular FormulaC26H31F3N8O
Molecular Weight528.58 g/mol
Exact Mass528.26
IUPAC Name1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2N(C)C)CC1
InChIInChI=1S/C26H31F3N8O/c1-5-30-22-12-21-19(14-32-22)23(16-13-33-36(4)15-16)34-37(21)17-6-8-18(9-7-17)38-25-24(35(2)3)20(10-11-31-25)26(27,28)29/h10-15,17-18H,5-9H2,1-4H3,(H,30,32)
InChIKeyNWCXYSJSGFQBPH-UHFFFAOYSA-N
XLogP5.31
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.58
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-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-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715274) is 1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2N(C)C)CC1.
What is the InChIKey of 1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is NWCXYSJSGFQBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N8O/c1-5-30-22-12-21-19(14-32-22)23(16-13-33-36(4)15-16)34-37(21)17-6-8-18(9-7-17)38-25-24(35(2)3)20(10-11-31-25)26(27,28)29/h10-15,17-18H,5-9H2,1-4H3,(H,30,32).
What are the key properties of 1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 528.58 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).