1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

C24H29N7O — CID 170793978

IUPAC1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(N3CCN(Cc4ccccc4)CC3)c(-c3cnn(C)c3)nc2C1
InChIInChI=1S/C24H29N7O/c1-18(32)31-9-8-21-22(17-31)26-23(20-14-25-28(2)16-20)24(27-21)30-12-10-29(11-13-30)15-19-6-4-3-5-7-19/h3-7,14,16H,8-13,15,17H2,1-2H3
InChIKeyMSBUHTUADKXDDP-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone (PubChem CID 170793978) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
PubChem CID170793978
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(N3CCN(Cc4ccccc4)CC3)c(-c3cnn(C)c3)nc2C1
InChIInChI=1S/C24H29N7O/c1-18(32)31-9-8-21-22(17-31)26-23(20-14-25-28(2)16-20)24(27-21)30-12-10-29(11-13-30)15-19-6-4-3-5-7-19/h3-7,14,16H,8-13,15,17H2,1-2H3
InChIKeyMSBUHTUADKXDDP-UHFFFAOYSA-N
XLogP2.10
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone with MolForge

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Related Compounds

3-[[4-[6-acetyl-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]piperazin-1-yl]methyl]benzonitrile
CID 170794320
1-[2-[4-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 170793812
1-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 170793677
4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 25378321
6-benzyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(1-ethylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazine
CID 175992843
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-[1-(oxetan-3-yl)pyrazol-4-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 174256248
1-(2-amino-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;hydrate
CID 19883212
tert-butyl 4-(1-methylpyrazol-4-yl)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 169130293
1-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549839
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169415488

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?
The IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone (CID 170793978) is 1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone.
What is the SMILES notation for 1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?
The canonical SMILES for 1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone is CC(=O)N1CCc2nc(N3CCN(Cc4ccccc4)CC3)c(-c3cnn(C)c3)nc2C1.
What is the InChIKey of 1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?
The InChIKey is MSBUHTUADKXDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-18(32)31-9-8-21-22(17-31)26-23(20-14-25-28(2)16-20)24(27-21)30-12-10-29(11-13-30)15-19-6-4-3-5-7-19/h3-7,14,16H,8-13,15,17H2,1-2H3.
What are the key properties of 1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?
1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone has a molecular weight of 431.54 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone is sourced from PubChem (CID 170793978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).