2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol

C26H31FN6O2 — CID 138715633

IUPAC2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol
SMILESCNc1cc2c(cn1)c(-c1cnn(C(C)(C)CO)c1)nn2C1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C26H31FN6O2/c1-26(2,16-34)32-15-17(13-30-32)25-20-14-29-24(28-3)12-22(20)33(31-25)18-8-10-19(11-9-18)35-23-7-5-4-6-21(23)27/h4-7,12-15,18-19,34H,8-11,16H2,1-3H3,(H,28,29)
InChIKeyCETMYURDYFXQPZ-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.77
Rot. Bonds7

About 2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol

2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol (PubChem CID 138715633) has the molecular formula C26H31FN6O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol
PubChem CID138715633
Molecular FormulaC26H31FN6O2
Molecular Weight478.57 g/mol
Exact Mass478.25
IUPAC Name2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol
SMILESCNc1cc2c(cn1)c(-c1cnn(C(C)(C)CO)c1)nn2C1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C26H31FN6O2/c1-26(2,16-34)32-15-17(13-30-32)25-20-14-29-24(28-3)12-22(20)33(31-25)18-8-10-19(11-9-18)35-23-7-5-4-6-21(23)27/h4-7,12-15,18-19,34H,8-11,16H2,1-3H3,(H,28,29)
InChIKeyCETMYURDYFXQPZ-UHFFFAOYSA-N
XLogP4.77
TPSA90.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol with MolForge

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Related Compounds

N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 138715489
(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
1-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715320
[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
(2R)-3-[4-[1-[4-(2,4-difluorophenoxy)cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
CID 138715626
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(1-methylpyrazol-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 138715140
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-(3-chlorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715233
1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one
CID 138715386
methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzoate
CID 138715804
1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 162773738
(2R)-3-[4-[6-(ethylamino)-1-[4-(2-fluoro-3-isocyanophenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]propane-1,2-diol
CID 162773746

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol (CID 138715633) is 2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol is CNc1cc2c(cn1)c(-c1cnn(C(C)(C)CO)c1)nn2C1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of 2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol?
The InChIKey is CETMYURDYFXQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2/c1-26(2,16-34)32-15-17(13-30-32)25-20-14-29-24(28-3)12-22(20)33(31-25)18-8-10-19(11-9-18)35-23-7-5-4-6-21(23)27/h4-7,12-15,18-19,34H,8-11,16H2,1-3H3,(H,28,29).
What are the key properties of 2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol?
2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol has a molecular weight of 478.57 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 138715633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).