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

C26H31FN6O2 — CID 138715637

IUPAC1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCNc1cc2c(cn1)c(-c1cnn(CC(C)(C)O)c1)nn2C1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C26H31FN6O2/c1-26(2,34)16-32-15-17(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)
InChIKeyHIEMHXZXEQGOMT-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.81
Rot. Bonds7

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

1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 138715637) has the molecular formula C26H31FN6O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID138715637
Molecular FormulaC26H31FN6O2
Molecular Weight478.57 g/mol
Exact Mass478.25
IUPAC Name1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCNc1cc2c(cn1)c(-c1cnn(CC(C)(C)O)c1)nn2C1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C26H31FN6O2/c1-26(2,34)16-32-15-17(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)
InChIKeyHIEMHXZXEQGOMT-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 138715637) is 1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol is CNc1cc2c(cn1)c(-c1cnn(CC(C)(C)O)c1)nn2C1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of 1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is HIEMHXZXEQGOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2/c1-26(2,34)16-32-15-17(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 1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 478.57 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 138715637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).