3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile

C24H26N8O — CID 138715164

IUPAC3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2C#N)CC1
InChIInChI=1S/C24H26N8O/c1-3-26-23-11-21-19(14-28-23)24(16-13-29-31(2)15-16)30-32(21)17-6-8-18(9-7-17)33-22-5-4-10-27-20(22)12-25/h4-5,10-11,13-15,17-18H,3,6-9H2,1-2H3,(H,26,28)
InChIKeyJADAKKGMCKOEQN-UHFFFAOYSA-N
MW442.53 g/mol
LogP4.09
Rot. Bonds6

About 3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile

3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile (PubChem CID 138715164) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile
PubChem CID138715164
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2C#N)CC1
InChIInChI=1S/C24H26N8O/c1-3-26-23-11-21-19(14-28-23)24(16-13-29-31(2)15-16)30-32(21)17-6-8-18(9-7-17)33-22-5-4-10-27-20(22)12-25/h4-5,10-11,13-15,17-18H,3,6-9H2,1-2H3,(H,26,28)
InChIKeyJADAKKGMCKOEQN-UHFFFAOYSA-N
XLogP4.09
TPSA106.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile?
The IUPAC name of 3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile (CID 138715164) is 3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile?
The canonical SMILES for 3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2C#N)CC1.
What is the InChIKey of 3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile?
The InChIKey is JADAKKGMCKOEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-3-26-23-11-21-19(14-28-23)24(16-13-29-31(2)15-16)30-32(21)17-6-8-18(9-7-17)33-22-5-4-10-27-20(22)12-25/h4-5,10-11,13-15,17-18H,3,6-9H2,1-2H3,(H,26,28).
What are the key properties of 3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile?
3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile has a molecular weight of 442.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 138715164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).