4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one

C19H22N8O — CID 71253507

IUPAC4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
SMILESO=C1CN(c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)CCN1
InChIInChI=1S/C19H22N8O/c28-18-12-27(9-6-21-18)17-10-13-15(11-22-17)24-25-19(13)14-2-1-3-16(23-14)26-7-4-20-5-8-26/h1-3,10-11,20H,4-9,12H2,(H,21,28)(H,24,25)
InChIKeyFTQIZXVNFDCIQI-UHFFFAOYSA-N
MW378.44 g/mol
LogP0.37
Rot. Bonds3

About 4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one

4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one (PubChem CID 71253507) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
PubChem CID71253507
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
SMILESO=C1CN(c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)CCN1
InChIInChI=1S/C19H22N8O/c28-18-12-27(9-6-21-18)17-10-13-15(11-22-17)24-25-19(13)14-2-1-3-16(23-14)26-7-4-20-5-8-26/h1-3,10-11,20H,4-9,12H2,(H,21,28)(H,24,25)
InChIKeyFTQIZXVNFDCIQI-UHFFFAOYSA-N
XLogP0.37
TPSA102.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one?
The IUPAC name of 4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one (CID 71253507) is 4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one.
What is the SMILES notation for 4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one?
The canonical SMILES for 4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one is O=C1CN(c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)CCN1.
What is the InChIKey of 4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one?
The InChIKey is FTQIZXVNFDCIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c28-18-12-27(9-6-21-18)17-10-13-15(11-22-17)24-25-19(13)14-2-1-3-16(23-14)26-7-4-20-5-8-26/h1-3,10-11,20H,4-9,12H2,(H,21,28)(H,24,25).
What are the key properties of 4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one?
4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one has a molecular weight of 378.44 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one is sourced from PubChem (CID 71253507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).