3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine

C18H20N8O — CID 175084886

IUPAC3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
SMILESCC1COCCN1c1cc(-c2ccnn2C)c2cnn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C18H20N8O/c1-12-11-27-8-7-25(12)17-9-13(15-3-6-20-24(15)2)14-10-21-26(18(14)22-17)16-4-5-19-23-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,23)
InChIKeyWUUZYGBMCIWOKU-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.77
Rot. Bonds3

About 3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine

3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine (PubChem CID 175084886) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
PubChem CID175084886
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
SMILESCC1COCCN1c1cc(-c2ccnn2C)c2cnn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C18H20N8O/c1-12-11-27-8-7-25(12)17-9-13(15-3-6-20-24(15)2)14-10-21-26(18(14)22-17)16-4-5-19-23-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,23)
InChIKeyWUUZYGBMCIWOKU-UHFFFAOYSA-N
XLogP1.77
TPSA89.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine?
The IUPAC name of 3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine (CID 175084886) is 3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine.
What is the SMILES notation for 3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine?
The canonical SMILES for 3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine is CC1COCCN1c1cc(-c2ccnn2C)c2cnn(-c3ccn[nH]3)c2n1.
What is the InChIKey of 3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine?
The InChIKey is WUUZYGBMCIWOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-12-11-27-8-7-25(12)17-9-13(15-3-6-20-24(15)2)14-10-21-26(18(14)22-17)16-4-5-19-23-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,23).
What are the key properties of 3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine?
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine has a molecular weight of 364.41 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 175084886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).