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

C28H36N6O2 — CID 123307583

IUPAC8-(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
SMILESCC1=CC(N2CCN(CCO)C(C)C2)=CN2C(=O)C=C(c3cc4c(C)nc(C)cn4n3)C(C)CC=C12
InChIInChI=1S/C28H36N6O2/c1-18-6-7-26-19(2)12-23(32-9-8-31(10-11-35)21(4)16-32)17-33(26)28(36)13-24(18)25-14-27-22(5)29-20(3)15-34(27)30-25/h7,12-15,17-18,21,35H,6,8-11,16H2,1-5H3
InChIKeyLDUSELASROAFOU-UHFFFAOYSA-N
MW488.64 g/mol
LogP3.28
Rot. Bonds4

About 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

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 (PubChem CID 123307583) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID123307583
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC Name8-(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
SMILESCC1=CC(N2CCN(CCO)C(C)C2)=CN2C(=O)C=C(c3cc4c(C)nc(C)cn4n3)C(C)CC=C12
InChIInChI=1S/C28H36N6O2/c1-18-6-7-26-19(2)12-23(32-9-8-31(10-11-35)21(4)16-32)17-33(26)28(36)13-24(18)25-14-27-22(5)29-20(3)15-34(27)30-25/h7,12-15,17-18,21,35H,6,8-11,16H2,1-5H3
InChIKeyLDUSELASROAFOU-UHFFFAOYSA-N
XLogP3.28
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123762775
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
8-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-3-(3-methyl-4-propylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123624048
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
8-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123618205
2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 145199983
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one
CID 123602436
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 135158933
2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol
CID 68591948
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)-3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]-1,9-dimethyl-9,10-dihydropyrido[1,2-a]azocin-6-one?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=CC(N2CCN(CCO)C(C)C2)=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)-3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]-1,9-dimethyl-9,10-dihydropyrido[1,2-a]azocin-6-one?
The InChIKey is LDUSELASROAFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-18-6-7-26-19(2)12-23(32-9-8-31(10-11-35)21(4)16-32)17-33(26)28(36)13-24(18)25-14-27-22(5)29-20(3)15-34(27)30-25/h7,12-15,17-18,21,35H,6,8-11,16H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 488.64 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123307583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).