1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one

C17H21N7O — CID 155484598

IUPAC1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
SMILESCC1CN(c2ccc3[nH]nc(-c4cnn(C)c4)c3n2)C(C)C(=O)N1C
InChIInChI=1S/C17H21N7O/c1-10-8-24(11(2)17(25)23(10)4)14-6-5-13-16(19-14)15(21-20-13)12-7-18-22(3)9-12/h5-7,9-11H,8H2,1-4H3,(H,20,21)
InChIKeyPRGBWCBVTWAZQG-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.41
Rot. Bonds2

About 1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one

1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one (PubChem CID 155484598) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
PubChem CID155484598
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
SMILESCC1CN(c2ccc3[nH]nc(-c4cnn(C)c4)c3n2)C(C)C(=O)N1C
InChIInChI=1S/C17H21N7O/c1-10-8-24(11(2)17(25)23(10)4)14-6-5-13-16(19-14)15(21-20-13)12-7-18-22(3)9-12/h5-7,9-11H,8H2,1-4H3,(H,20,21)
InChIKeyPRGBWCBVTWAZQG-UHFFFAOYSA-N
XLogP1.41
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
The IUPAC name of 1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one (CID 155484598) is 1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one.
What is the SMILES notation for 1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
The canonical SMILES for 1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one is CC1CN(c2ccc3[nH]nc(-c4cnn(C)c4)c3n2)C(C)C(=O)N1C.
What is the InChIKey of 1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
The InChIKey is PRGBWCBVTWAZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-10-8-24(11(2)17(25)23(10)4)14-6-5-13-16(19-14)15(21-20-13)12-7-18-22(3)9-12/h5-7,9-11H,8H2,1-4H3,(H,20,21).
What are the key properties of 1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one is sourced from PubChem (CID 155484598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).