1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one

C19H30N8O — CID 78054643

IUPAC1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
SMILESO=C1CNCCN1C1CC2C(CN1)NNC2c1cccc(N2CCNCC2)n1
InChIInChI=1S/C19H30N8O/c28-18-12-21-6-9-27(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/h1-3,13,15,17,19-22,24-25H,4-12H2
InChIKeyLDTCFVDKUDXGLX-UHFFFAOYSA-N
MW386.50 g/mol
LogP-1.62
Rot. Bonds3

About 1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one

1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one (PubChem CID 78054643) has the molecular formula C19H30N8O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
PubChem CID78054643
Molecular FormulaC19H30N8O
Molecular Weight386.50 g/mol
Exact Mass386.25
IUPAC Name1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
SMILESO=C1CNCCN1C1CC2C(CN1)NNC2c1cccc(N2CCNCC2)n1
InChIInChI=1S/C19H30N8O/c28-18-12-21-6-9-27(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/h1-3,13,15,17,19-22,24-25H,4-12H2
InChIKeyLDTCFVDKUDXGLX-UHFFFAOYSA-N
XLogP-1.62
TPSA96.59 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 5-1.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one?
The IUPAC name of 1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one (CID 78054643) is 1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one.
What is the SMILES notation for 1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one?
The canonical SMILES for 1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one is O=C1CNCCN1C1CC2C(CN1)NNC2c1cccc(N2CCNCC2)n1.
What is the InChIKey of 1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one?
The InChIKey is LDTCFVDKUDXGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8O/c28-18-12-21-6-9-27(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/h1-3,13,15,17,19-22,24-25H,4-12H2.
What are the key properties of 1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one?
1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one has a molecular weight of 386.50 g/mol, XLogP of -1.62, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one is sourced from PubChem (CID 78054643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).