4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide

C23H22N6O — CID 126470689

IUPAC4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C23H22N6O/c24-22(30)17-3-1-15(2-4-17)20-10-9-19-21(27-28-23(19)26-20)16-5-7-18(8-6-16)29-13-11-25-12-14-29/h1-10,25H,11-14H2,(H2,24,30)(H,26,27,28)
InChIKeyXNVOWVUJZPDORX-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.80
Rot. Bonds4

About 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide

4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide (PubChem CID 126470689) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide
PubChem CID126470689
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C23H22N6O/c24-22(30)17-3-1-15(2-4-17)20-10-9-19-21(27-28-23(19)26-20)16-5-7-18(8-6-16)29-13-11-25-12-14-29/h1-10,25H,11-14H2,(H2,24,30)(H,26,27,28)
InChIKeyXNVOWVUJZPDORX-UHFFFAOYSA-N
XLogP2.80
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide?
The IUPAC name of 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide (CID 126470689) is 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide.
What is the SMILES notation for 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide?
The canonical SMILES for 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide is NC(=O)c1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)[nH]nc3n2)cc1.
What is the InChIKey of 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide?
The InChIKey is XNVOWVUJZPDORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c24-22(30)17-3-1-15(2-4-17)20-10-9-19-21(27-28-23(19)26-20)16-5-7-18(8-6-16)29-13-11-25-12-14-29/h1-10,25H,11-14H2,(H2,24,30)(H,26,27,28).
What are the key properties of 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide?
4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide has a molecular weight of 398.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide is sourced from PubChem (CID 126470689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).