1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C27H31F4N7O2 — CID 138715055

IUPAC1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCCNc1cc2c(cn1)c(-c1cnn(CC(C)(C)O)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C27H31F4N7O2/c1-4-32-22-11-21-19(13-34-22)24(16-12-35-37(14-16)15-26(2,3)39)36-38(21)17-5-7-18(8-6-17)40-25-23(28)20(9-10-33-25)27(29,30)31/h9-14,17-18,39H,4-8,15H2,1-3H3,(H,32,34)
InChIKeyNIXNEDAOUPOJQO-UHFFFAOYSA-N
MW561.58 g/mol
LogP5.61
Rot. Bonds8

About 1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 138715055) has the molecular formula C27H31F4N7O2 and a molecular weight of 561.58 g/mol. Its IUPAC name is 1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID138715055
Molecular FormulaC27H31F4N7O2
Molecular Weight561.58 g/mol
Exact Mass561.25
IUPAC Name1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCCNc1cc2c(cn1)c(-c1cnn(CC(C)(C)O)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C27H31F4N7O2/c1-4-32-22-11-21-19(13-34-22)24(16-12-35-37(14-16)15-26(2,3)39)36-38(21)17-5-7-18(8-6-17)40-25-23(28)20(9-10-33-25)27(29,30)31/h9-14,17-18,39H,4-8,15H2,1-3H3,(H,32,34)
InChIKeyNIXNEDAOUPOJQO-UHFFFAOYSA-N
XLogP5.61
TPSA102.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.58
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 138715055) is 1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol is CCNc1cc2c(cn1)c(-c1cnn(CC(C)(C)O)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1.
What is the InChIKey of 1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is NIXNEDAOUPOJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F4N7O2/c1-4-32-22-11-21-19(13-34-22)24(16-12-35-37(14-16)15-26(2,3)39)36-38(21)17-5-7-18(8-6-17)40-25-23(28)20(9-10-33-25)27(29,30)31/h9-14,17-18,39H,4-8,15H2,1-3H3,(H,32,34).
What are the key properties of 1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 561.58 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 138715055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).