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

C29H33F4N7O2 — CID 138715464

IUPAC4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol
SMILESCCNc1cc2c(cn1)c(-c1cnn(C3CCC(O)CC3)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C29H33F4N7O2/c1-2-34-25-13-24-22(15-36-25)27(17-14-37-39(16-17)18-3-7-20(41)8-4-18)38-40(24)19-5-9-21(10-6-19)42-28-26(30)23(11-12-35-28)29(31,32)33/h11-16,18-21,41H,2-10H2,1H3,(H,34,36)
InChIKeyANNUWHPAWZSZCB-UHFFFAOYSA-N
MW587.62 g/mol
LogP6.32
Rot. Bonds7

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

4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 138715464) has the molecular formula C29H33F4N7O2 and a molecular weight of 587.62 g/mol. Its IUPAC name is 4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol
PubChem CID138715464
Molecular FormulaC29H33F4N7O2
Molecular Weight587.62 g/mol
Exact Mass587.26
IUPAC Name4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol
SMILESCCNc1cc2c(cn1)c(-c1cnn(C3CCC(O)CC3)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C29H33F4N7O2/c1-2-34-25-13-24-22(15-36-25)27(17-14-37-39(16-17)18-3-7-20(41)8-4-18)38-40(24)19-5-9-21(10-6-19)42-28-26(30)23(11-12-35-28)29(31,32)33/h11-16,18-21,41H,2-10H2,1H3,(H,34,36)
InChIKeyANNUWHPAWZSZCB-UHFFFAOYSA-N
XLogP6.32
TPSA102.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.62
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol (CID 138715464) is 4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol is CCNc1cc2c(cn1)c(-c1cnn(C3CCC(O)CC3)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1.
What is the InChIKey of 4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is ANNUWHPAWZSZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F4N7O2/c1-2-34-25-13-24-22(15-36-25)27(17-14-37-39(16-17)18-3-7-20(41)8-4-18)38-40(24)19-5-9-21(10-6-19)42-28-26(30)23(11-12-35-28)29(31,32)33/h11-16,18-21,41H,2-10H2,1H3,(H,34,36).
What are the key properties of 4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol?
4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 587.62 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 138715464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).