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

C29H28F3N7O — CID 142603840

IUPAC3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCn1cc(-c2nn(CC3CCC(Oc4cccnc4C(F)(F)F)CC3)c3cc(Nc4ccccc4)ncc23)cn1
InChIInChI=1S/C29H28F3N7O/c1-38-18-20(15-35-38)27-23-16-34-26(36-21-6-3-2-4-7-21)14-24(23)39(37-27)17-19-9-11-22(12-10-19)40-25-8-5-13-33-28(25)29(30,31)32/h2-8,13-16,18-19,22H,9-12,17H2,1H3,(H,34,36)
InChIKeyAPEWWVRGLLUACB-UHFFFAOYSA-N
MW547.59 g/mol
LogP6.63
Rot. Bonds7

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

3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 142603840) has the molecular formula C29H28F3N7O and a molecular weight of 547.59 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID142603840
Molecular FormulaC29H28F3N7O
Molecular Weight547.59 g/mol
Exact Mass547.23
IUPAC Name3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCn1cc(-c2nn(CC3CCC(Oc4cccnc4C(F)(F)F)CC3)c3cc(Nc4ccccc4)ncc23)cn1
InChIInChI=1S/C29H28F3N7O/c1-38-18-20(15-35-38)27-23-16-34-26(36-21-6-3-2-4-7-21)14-24(23)39(37-27)17-19-9-11-22(12-10-19)40-25-8-5-13-33-28(25)29(30,31)32/h2-8,13-16,18-19,22H,9-12,17H2,1H3,(H,34,36)
InChIKeyAPEWWVRGLLUACB-UHFFFAOYSA-N
XLogP6.63
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.59
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine with MolForge

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Related Compounds

(2R)-3-[4-[6-(methylamino)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
CID 138715511
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 138715489
[1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]-(2,2,2-trifluoroethyl)carbamic acid
CID 138682884
1-[4-[[3-bromo-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715497
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715162
[3-bromo-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-methylcarbamic acid
CID 138682835
6-[4-[6-(4-isocyanoanilino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
CID 162773684
N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 162773722
2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile
CID 162773731
1-[4-(1,5-dimethylpyrazol-4-yl)oxycyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715053
N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 138715156
N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine
CID 142603727

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine (CID 142603840) is 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine is Cn1cc(-c2nn(CC3CCC(Oc4cccnc4C(F)(F)F)CC3)c3cc(Nc4ccccc4)ncc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is APEWWVRGLLUACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N7O/c1-38-18-20(15-35-38)27-23-16-34-26(36-21-6-3-2-4-7-21)14-24(23)39(37-27)17-19-9-11-22(12-10-19)40-25-8-5-13-33-28(25)29(30,31)32/h2-8,13-16,18-19,22H,9-12,17H2,1H3,(H,34,36).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine?
3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 547.59 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]methyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 142603840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).