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

C29H38N6O — CID 123624048

IUPAC8-(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
SMILESCCCN1CCN(C2=CN3C(=O)C=C(c4cc5c(CC)nc(C)cn5n4)C(C)CC=C3C=C2)CC1C
InChIInChI=1S/C29H38N6O/c1-6-12-32-13-14-33(18-22(32)5)24-11-10-23-9-8-20(3)25(15-29(36)34(23)19-24)27-16-28-26(7-2)30-21(4)17-35(28)31-27/h9-11,15-17,19-20,22H,6-8,12-14,18H2,1-5H3
InChIKeyKUXSUHRQAYVURZ-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.56
Rot. Bonds5

About 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

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 (PubChem CID 123624048) has the molecular formula C29H38N6O and a molecular weight of 486.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID123624048
Molecular FormulaC29H38N6O
Molecular Weight486.66 g/mol
Exact Mass486.31
IUPAC Name8-(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
SMILESCCCN1CCN(C2=CN3C(=O)C=C(c4cc5c(CC)nc(C)cn5n4)C(C)CC=C3C=C2)CC1C
InChIInChI=1S/C29H38N6O/c1-6-12-32-13-14-33(18-22(32)5)24-11-10-23-9-8-20(3)25(15-29(36)34(23)19-24)27-16-28-26(7-2)30-21(4)17-35(28)31-27/h9-11,15-17,19-20,22H,6-8,12-14,18H2,1-5H3
InChIKeyKUXSUHRQAYVURZ-UHFFFAOYSA-N
XLogP4.56
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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-(1-methylpiperidin-4-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123640628
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-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 123942894
8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123964660
3-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-8-(3-fluoro-4-methoxyphenyl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123426058
9-methyl-8-(2-methyl-1,3-benzothiazol-6-yl)-3-(1-methylpiperidin-4-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123971936

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN1CCN(C2=CN3C(=O)C=C(c4cc5c(CC)nc(C)cn5n4)C(C)CC=C3C=C2)CC1C.
What is the InChIKey of 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?
The InChIKey is KUXSUHRQAYVURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O/c1-6-12-32-13-14-33(18-22(32)5)24-11-10-23-9-8-20(3)25(15-29(36)34(23)19-24)27-16-28-26(7-2)30-21(4)17-35(28)31-27/h9-11,15-17,19-20,22H,6-8,12-14,18H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 486.66 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123624048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).