8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one

C25H30N6O — CID 123762775

IUPAC8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one
SMILESCC1=CC(N2CCNCC2)=CN2C(=O)C=C(c3cc4c(C)nc(C)cn4n3)C(C)CC=C12
InChIInChI=1S/C25H30N6O/c1-16-5-6-23-17(2)11-20(29-9-7-26-8-10-29)15-30(23)25(32)12-21(16)22-13-24-19(4)27-18(3)14-31(24)28-22/h6,11-16,26H,5,7-10H2,1-4H3
InChIKeyAWULKOLDKGQTKD-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.19
Rot. Bonds2

About 8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one

8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one (PubChem CID 123762775) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one.

Molecular Properties

Compound Name8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one
PubChem CID123762775
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one
SMILESCC1=CC(N2CCNCC2)=CN2C(=O)C=C(c3cc4c(C)nc(C)cn4n3)C(C)CC=C12
InChIInChI=1S/C25H30N6O/c1-16-5-6-23-17(2)11-20(29-9-7-26-8-10-29)15-30(23)25(32)12-21(16)22-13-24-19(4)27-18(3)14-31(24)28-22/h6,11-16,26H,5,7-10H2,1-4H3
InChIKeyAWULKOLDKGQTKD-UHFFFAOYSA-N
XLogP3.19
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one with MolForge

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Related Compounds

3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]-8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123157333
8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]-1,9-dimethyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123307583
8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-(1-methylpiperidin-4-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123640628
3-[4-(diethylamino)piperidin-1-yl]-8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123446416
8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123774297
9-methyl-3-piperazin-1-yl-8-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123920499
8-(4-ethoxy-3-fluorophenyl)-9-methyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123830016
8-[(9Z)-2,3-dimethyl-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]-9-methyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123332255
tert-butyl 4-[2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-oxo-3H-quinazolin-6-yl]piperazine-1-carboxylate;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-piperazin-1-yl-3H-quinazolin-4-one
CID 167562119
9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123165326
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050866
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-(4-methylpiperazin-1-yl)quinazoline
CID 156905453

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one?
The IUPAC name of 8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one (CID 123762775) is 8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one.
What is the SMILES notation for 8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one?
The canonical SMILES for 8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one is CC1=CC(N2CCNCC2)=CN2C(=O)C=C(c3cc4c(C)nc(C)cn4n3)C(C)CC=C12.
What is the InChIKey of 8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one?
The InChIKey is AWULKOLDKGQTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-16-5-6-23-17(2)11-20(29-9-7-26-8-10-29)15-30(23)25(32)12-21(16)22-13-24-19(4)27-18(3)14-31(24)28-22/h6,11-16,26H,5,7-10H2,1-4H3.
What are the key properties of 8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one?
8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one has a molecular weight of 430.56 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one is sourced from PubChem (CID 123762775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).