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

C27H32F3N7O3 — CID 138715555

IUPAC2-[[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]methyl]propane-1,3-diol
SMILESCCNc1cc2c(cn1)c(-c1cnn(CC(CO)CO)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C27H32F3N7O3/c1-2-31-24-10-22-21(12-33-24)25(18-11-34-36(14-18)13-17(15-38)16-39)35-37(22)19-5-7-20(8-6-19)40-23-4-3-9-32-26(23)27(28,29)30/h3-4,9-12,14,17,19-20,38-39H,2,5-8,13,15-16H2,1H3,(H,31,33)
InChIKeyQRONKLXAZPHFIL-UHFFFAOYSA-N
MW559.59 g/mol
LogP4.30
Rot. Bonds10

About 2-[[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]methyl]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]methyl]propane-1,3-diol (PubChem CID 138715555) has the molecular formula C27H32F3N7O3 and a molecular weight of 559.59 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]methyl]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]methyl]propane-1,3-diol
PubChem CID138715555
Molecular FormulaC27H32F3N7O3
Molecular Weight559.59 g/mol
Exact Mass559.25
IUPAC Name2-[[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]methyl]propane-1,3-diol
SMILESCCNc1cc2c(cn1)c(-c1cnn(CC(CO)CO)c1)nn2C1CCC(Oc2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C27H32F3N7O3/c1-2-31-24-10-22-21(12-33-24)25(18-11-34-36(14-18)13-17(15-38)16-39)35-37(22)19-5-7-20(8-6-19)40-23-4-3-9-32-26(23)27(28,29)30/h3-4,9-12,14,17,19-20,38-39H,2,5-8,13,15-16H2,1H3,(H,31,33)
InChIKeyQRONKLXAZPHFIL-UHFFFAOYSA-N
XLogP4.30
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.59
LogP ≤ 54.30
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]methyl]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]methyl]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]methyl]propane-1,3-diol (CID 138715555) is 2-[[4-[6-(ethylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]methyl]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]methyl]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]methyl]propane-1,3-diol is CCNc1cc2c(cn1)c(-c1cnn(CC(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]methyl]propane-1,3-diol?
The InChIKey is QRONKLXAZPHFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N7O3/c1-2-31-24-10-22-21(12-33-24)25(18-11-34-36(14-18)13-17(15-38)16-39)35-37(22)19-5-7-20(8-6-19)40-23-4-3-9-32-26(23)27(28,29)30/h3-4,9-12,14,17,19-20,38-39H,2,5-8,13,15-16H2,1H3,(H,31,33).
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]methyl]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]methyl]propane-1,3-diol has a molecular weight of 559.59 g/mol, XLogP of 4.30, 10 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]methyl]propane-1,3-diol is sourced from PubChem (CID 138715555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).