1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one

C23H26N8O — CID 155484410

IUPAC1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
SMILESCC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cnn(Cc4cccnc4)c3)c2n1
InChIInChI=1S/C23H26N8O/c1-15(2)22-23(32)29(3)9-10-31(22)19-7-6-18-21(26-19)20(28-27-18)17-12-25-30(14-17)13-16-5-4-8-24-11-16/h4-8,11-12,14-15,22H,9-10,13H2,1-3H3,(H,27,28)
InChIKeyZOPFZXGPYAKREV-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.57
Rot. Bonds5

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

1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one (PubChem CID 155484410) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
PubChem CID155484410
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
SMILESCC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cnn(Cc4cccnc4)c3)c2n1
InChIInChI=1S/C23H26N8O/c1-15(2)22-23(32)29(3)9-10-31(22)19-7-6-18-21(26-19)20(28-27-18)17-12-25-30(14-17)13-16-5-4-8-24-11-16/h4-8,11-12,14-15,22H,9-10,13H2,1-3H3,(H,27,28)
InChIKeyZOPFZXGPYAKREV-UHFFFAOYSA-N
XLogP2.57
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
The IUPAC name of 1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one (CID 155484410) is 1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one is CC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cnn(Cc4cccnc4)c3)c2n1.
What is the InChIKey of 1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
The InChIKey is ZOPFZXGPYAKREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-15(2)22-23(32)29(3)9-10-31(22)19-7-6-18-21(26-19)20(28-27-18)17-12-25-30(14-17)13-16-5-4-8-24-11-16/h4-8,11-12,14-15,22H,9-10,13H2,1-3H3,(H,27,28).
What are the key properties of 1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one?
1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one has a molecular weight of 430.52 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one is sourced from PubChem (CID 155484410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).