1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C22H24N8O — CID 139530417

IUPAC1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(-c3cnc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C22H24N8O/c1-13(31)29-6-7-30-18(12-29)20(25-21(30)14-4-5-14)15-8-17-19(16-10-24-27(2)11-16)26-28(3)22(17)23-9-15/h8-11,14H,4-7,12H2,1-3H3
InChIKeyFMSQCJHQOVQQNT-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.47
Rot. Bonds3

About 1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139530417) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139530417
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(-c3cnc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C22H24N8O/c1-13(31)29-6-7-30-18(12-29)20(25-21(30)14-4-5-14)15-8-17-19(16-10-24-27(2)11-16)26-28(3)22(17)23-9-15/h8-11,14H,4-7,12H2,1-3H3
InChIKeyFMSQCJHQOVQQNT-UHFFFAOYSA-N
XLogP2.47
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139530417) is 1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(C3CC3)nc(-c3cnc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.
What is the InChIKey of 1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is FMSQCJHQOVQQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-13(31)29-6-7-30-18(12-29)20(25-21(30)14-4-5-14)15-8-17-19(16-10-24-27(2)11-16)26-28(3)22(17)23-9-15/h8-11,14H,4-7,12H2,1-3H3.
What are the key properties of 1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 416.49 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139530417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).