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

C18H23N7O — CID 155484594

IUPAC1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C18H23N7O/c1-11(2)17-18(26)23(3)7-8-25(17)14-6-5-13-16(20-14)15(22-21-13)12-9-19-24(4)10-12/h5-6,9-11,17H,7-8H2,1-4H3,(H,21,22)
InChIKeyPIVRALLDQVUVCH-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.66
Rot. Bonds3

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

1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one (PubChem CID 155484594) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one
PubChem CID155484594
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C18H23N7O/c1-11(2)17-18(26)23(3)7-8-25(17)14-6-5-13-16(20-14)15(22-21-13)12-9-19-24(4)10-12/h5-6,9-11,17H,7-8H2,1-4H3,(H,21,22)
InChIKeyPIVRALLDQVUVCH-UHFFFAOYSA-N
XLogP1.66
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one?
The IUPAC name of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one (CID 155484594) is 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one is CC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cnn(C)c3)c2n1.
What is the InChIKey of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one?
The InChIKey is PIVRALLDQVUVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-11(2)17-18(26)23(3)7-8-25(17)14-6-5-13-16(20-14)15(22-21-13)12-9-19-24(4)10-12/h5-6,9-11,17H,7-8H2,1-4H3,(H,21,22).
What are the key properties of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one?
1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 155484594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).