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

C21H29N7O — CID 78054493

IUPAC1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one
SMILESCn1ccc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)cc1=O
InChIInChI=1S/C21H29N7O/c1-27-8-5-14(11-20(27)29)17-12-15-18(13-23-17)25-26-21(15)16-3-2-4-19(24-16)28-9-6-22-7-10-28/h2-5,8,11,15,17-18,21-23,25-26H,6-7,9-10,12-13H2,1H3
InChIKeyUECFHQXPAXBIJU-UHFFFAOYSA-N
MW395.51 g/mol
LogP0.06
Rot. Bonds3

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

1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one (PubChem CID 78054493) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one
PubChem CID78054493
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one
SMILESCn1ccc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)cc1=O
InChIInChI=1S/C21H29N7O/c1-27-8-5-14(11-20(27)29)17-12-15-18(13-23-17)25-26-21(15)16-3-2-4-19(24-16)28-9-6-22-7-10-28/h2-5,8,11,15,17-18,21-23,25-26H,6-7,9-10,12-13H2,1H3
InChIKeyUECFHQXPAXBIJU-UHFFFAOYSA-N
XLogP0.06
TPSA86.25 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

5-(5-methylsulfonyl-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054595
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
(3R)-3-methyl-1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-ol
CID 123133171
4-fluoro-1-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-ol
CID 123133178
1-methyl-4-piperidin-4-ylpyridin-2-one
CID 59627486
4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one
CID 89412749
(3S)-1-[3-methyl-6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 123133106
1-[6-[3,4-di(propan-2-yl)phenyl]-2-pyridinyl]piperazine
CID 67606505
(4S)-1-[3-bromo-6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
CID 123133101
(3R)-1-[3-bromo-6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
CID 123133080
(3S)-1-[3-ethenyl-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
CID 123133164
N-(2-aminoethyl)-6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide
CID 123133114

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one (CID 78054493) is 1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one is Cn1ccc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)cc1=O.
What is the InChIKey of 1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one?
The InChIKey is UECFHQXPAXBIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-27-8-5-14(11-20(27)29)17-12-15-18(13-23-17)25-26-21(15)16-3-2-4-19(24-16)28-9-6-22-7-10-28/h2-5,8,11,15,17-18,21-23,25-26H,6-7,9-10,12-13H2,1H3.
What are the key properties of 1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one?
1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one has a molecular weight of 395.51 g/mol, XLogP of 0.06, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one is sourced from PubChem (CID 78054493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).