2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile

C24H25N7O — CID 138715003

IUPAC2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccccc2C#N)CC1
InChIInChI=1S/C24H25N7O/c1-26-23-11-21-20(14-27-23)24(17-13-28-30(2)15-17)29-31(21)18-7-9-19(10-8-18)32-22-6-4-3-5-16(22)12-25/h3-6,11,13-15,18-19H,7-10H2,1-2H3,(H,26,27)
InChIKeySAFSISGPGMKHHG-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.31
Rot. Bonds5

About 2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile

2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile (PubChem CID 138715003) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile.

Molecular Properties

Compound Name2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile
PubChem CID138715003
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccccc2C#N)CC1
InChIInChI=1S/C24H25N7O/c1-26-23-11-21-20(14-27-23)24(17-13-28-30(2)15-17)29-31(21)18-7-9-19(10-8-18)32-22-6-4-3-5-16(22)12-25/h3-6,11,13-15,18-19H,7-10H2,1-2H3,(H,26,27)
InChIKeySAFSISGPGMKHHG-UHFFFAOYSA-N
XLogP4.31
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile?
The IUPAC name of 2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile (CID 138715003) is 2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile.
What is the SMILES notation for 2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile?
The canonical SMILES for 2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccccc2C#N)CC1.
What is the InChIKey of 2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile?
The InChIKey is SAFSISGPGMKHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-26-23-11-21-20(14-27-23)24(17-13-28-30(2)15-17)29-31(21)18-7-9-19(10-8-18)32-22-6-4-3-5-16(22)12-25/h3-6,11,13-15,18-19H,7-10H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile?
2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile has a molecular weight of 427.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile is sourced from PubChem (CID 138715003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).