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

C26H30F3N7O3 — CID 138715441

IUPAC2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol
SMILESCCNc1cc2c(cn1)c(-c1cnn(C(CO)CO)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C26H30F3N7O3/c1-2-30-23-10-21-20(12-32-23)24(16-11-33-35(13-16)18(14-37)15-38)34-36(21)17-5-7-19(8-6-17)39-22-4-3-9-31-25(22)26(27,28)29/h3-4,9-13,17-19,37-38H,2,5-8,14-15H2,1H3,(H,30,32)
InChIKeyFVPWJFJFMPICKA-UHFFFAOYSA-N
MW545.57 g/mol
LogP4.23
Rot. Bonds9

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

2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol (PubChem CID 138715441) has the molecular formula C26H30F3N7O3 and a molecular weight of 545.57 g/mol. Its IUPAC name is 2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol
PubChem CID138715441
Molecular FormulaC26H30F3N7O3
Molecular Weight545.57 g/mol
Exact Mass545.24
IUPAC Name2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol
SMILESCCNc1cc2c(cn1)c(-c1cnn(C(CO)CO)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C26H30F3N7O3/c1-2-30-23-10-21-20(12-32-23)24(16-11-33-35(13-16)18(14-37)15-38)34-36(21)17-5-7-19(8-6-17)39-22-4-3-9-31-25(22)26(27,28)29/h3-4,9-13,17-19,37-38H,2,5-8,14-15H2,1H3,(H,30,32)
InChIKeyFVPWJFJFMPICKA-UHFFFAOYSA-N
XLogP4.23
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.57
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol?
The IUPAC name of 2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol (CID 138715441) is 2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol is CCNc1cc2c(cn1)c(-c1cnn(C(CO)CO)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1.
What is the InChIKey of 2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol?
The InChIKey is FVPWJFJFMPICKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N7O3/c1-2-30-23-10-21-20(12-32-23)24(16-11-33-35(13-16)18(14-37)15-38)34-36(21)17-5-7-19(8-6-17)39-22-4-3-9-31-25(22)26(27,28)29/h3-4,9-13,17-19,37-38H,2,5-8,14-15H2,1H3,(H,30,32).
What are the key properties of 2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol?
2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol has a molecular weight of 545.57 g/mol, XLogP of 4.23, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,3-diol is sourced from PubChem (CID 138715441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).