1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

C24H30F2N6O — CID 118159165

IUPAC1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC3CCC3)nc2C1
InChIInChI=1S/C24H30F2N6O/c1-16(33)32-8-7-21-22(15-32)28-23(27-19-3-2-4-19)24(29-21)31-11-9-30(10-12-31)14-17-5-6-18(25)13-20(17)26/h5-6,13,19H,2-4,7-12,14-15H2,1H3,(H,27,28)
InChIKeyOLCPSLUHIDGRAC-UHFFFAOYSA-N
MW456.54 g/mol
LogP2.95
Rot. Bonds5

About 1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone (PubChem CID 118159165) has the molecular formula C24H30F2N6O and a molecular weight of 456.54 g/mol. Its IUPAC name is 1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
PubChem CID118159165
Molecular FormulaC24H30F2N6O
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Name1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC3CCC3)nc2C1
InChIInChI=1S/C24H30F2N6O/c1-16(33)32-8-7-21-22(15-32)28-23(27-19-3-2-4-19)24(29-21)31-11-9-30(10-12-31)14-17-5-6-18(25)13-20(17)26/h5-6,13,19H,2-4,7-12,14-15H2,1H3,(H,27,28)
InChIKeyOLCPSLUHIDGRAC-UHFFFAOYSA-N
XLogP2.95
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?
The IUPAC name of 1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone (CID 118159165) is 1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone.
What is the SMILES notation for 1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?
The canonical SMILES for 1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone is CC(=O)N1CCc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC3CCC3)nc2C1.
What is the InChIKey of 1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?
The InChIKey is OLCPSLUHIDGRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N6O/c1-16(33)32-8-7-21-22(15-32)28-23(27-19-3-2-4-19)24(29-21)31-11-9-30(10-12-31)14-17-5-6-18(25)13-20(17)26/h5-6,13,19H,2-4,7-12,14-15H2,1H3,(H,27,28).
What are the key properties of 1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?
1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone has a molecular weight of 456.54 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclobutylamino)-2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone is sourced from PubChem (CID 118159165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).