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

C27H33N5O — CID 123640628

IUPAC8-(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
SMILESCC1=CC(C2CCN(C)CC2)=CN2C(=O)C=C(c3cc4c(C)nc(C)cn4n3)C(C)CC=C12
InChIInChI=1S/C27H33N5O/c1-17-6-7-25-18(2)12-22(21-8-10-30(5)11-9-21)16-31(25)27(33)13-23(17)24-14-26-20(4)28-19(3)15-32(26)29-24/h7,12-17,21H,6,8-11H2,1-5H3
InChIKeySSWSDLJRISIZEQ-UHFFFAOYSA-N
MW443.60 g/mol
LogP4.67
Rot. Bonds2

About 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

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 (PubChem CID 123640628) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID123640628
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC Name8-(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
SMILESCC1=CC(C2CCN(C)CC2)=CN2C(=O)C=C(c3cc4c(C)nc(C)cn4n3)C(C)CC=C12
InChIInChI=1S/C27H33N5O/c1-17-6-7-25-18(2)12-22(21-8-10-30(5)11-9-21)16-31(25)27(33)13-23(17)24-14-26-20(4)28-19(3)15-32(26)29-24/h7,12-17,21H,6,8-11H2,1-5H3
InChIKeySSWSDLJRISIZEQ-UHFFFAOYSA-N
XLogP4.67
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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)-3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]-1,9-dimethyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123307583
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
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
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-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine
CID 163828264
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-(4-methylpiperazin-1-yl)quinazoline
CID 156905453
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidine
CID 141381221
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
8-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydropyridazino[1,6-a]azocin-10-one
CID 123794412
4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
CID 116894072

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=CC(C2CCN(C)CC2)=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-(1-methylpiperidin-4-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one?
The InChIKey is SSWSDLJRISIZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c1-17-6-7-25-18(2)12-22(21-8-10-30(5)11-9-21)16-31(25)27(33)13-23(17)24-14-26-20(4)28-19(3)15-32(26)29-24/h7,12-17,21H,6,8-11H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 443.60 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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-(1-methylpiperidin-4-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one is sourced from PubChem (CID 123640628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).