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

C18H21N7O — CID 155484442

IUPAC1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
SMILESCC1C(=O)N(C2CC2)CCN1c1ccc2[nH]nc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C18H21N7O/c1-11-18(26)25(13-3-4-13)8-7-24(11)15-6-5-14-17(20-15)16(22-21-14)12-9-19-23(2)10-12/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyGAXUEPIGIMUYMU-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.56
Rot. Bonds3

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

1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one (PubChem CID 155484442) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
PubChem CID155484442
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
SMILESCC1C(=O)N(C2CC2)CCN1c1ccc2[nH]nc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C18H21N7O/c1-11-18(26)25(13-3-4-13)8-7-24(11)15-6-5-14-17(20-15)16(22-21-14)12-9-19-23(2)10-12/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyGAXUEPIGIMUYMU-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
The IUPAC name of 1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one (CID 155484442) is 1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one is CC1C(=O)N(C2CC2)CCN1c1ccc2[nH]nc(-c3cnn(C)c3)c2n1.
What is the InChIKey of 1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
The InChIKey is GAXUEPIGIMUYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-11-18(26)25(13-3-4-13)8-7-24(11)15-6-5-14-17(20-15)16(22-21-14)12-9-19-23(2)10-12/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,21,22).
What are the key properties of 1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
1-cyclopropyl-3-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 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one is sourced from PubChem (CID 155484442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).