3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one

C18H21N7O — CID 155484406

IUPAC3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
SMILESCN1CCN(c2ccc3[nH]nc(-c4cnn(C)c4)c3n2)C(C2CC2)C1=O
InChIInChI=1S/C18H21N7O/c1-23-7-8-25(17(18(23)26)11-3-4-11)14-6-5-13-16(20-14)15(22-21-13)12-9-19-24(2)10-12/h5-6,9-11,17H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyYURLPJWJAMNELP-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.42
Rot. Bonds3

About 3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one

3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one (PubChem CID 155484406) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
PubChem CID155484406
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
SMILESCN1CCN(c2ccc3[nH]nc(-c4cnn(C)c4)c3n2)C(C2CC2)C1=O
InChIInChI=1S/C18H21N7O/c1-23-7-8-25(17(18(23)26)11-3-4-11)14-6-5-13-16(20-14)15(22-21-13)12-9-19-24(2)10-12/h5-6,9-11,17H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyYURLPJWJAMNELP-UHFFFAOYSA-N
XLogP1.42
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
The IUPAC name of 3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one (CID 155484406) is 3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one.
What is the SMILES notation for 3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
The canonical SMILES for 3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one is CN1CCN(c2ccc3[nH]nc(-c4cnn(C)c4)c3n2)C(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
The InChIKey is YURLPJWJAMNELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-23-7-8-25(17(18(23)26)11-3-4-11)14-6-5-13-16(20-14)15(22-21-13)12-9-19-24(2)10-12/h5-6,9-11,17H,3-4,7-8H2,1-2H3,(H,21,22).
What are the key properties of 3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one has a molecular weight of 351.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one is sourced from PubChem (CID 155484406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).