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

C24H32F2N6O — CID 118159125

IUPAC1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one
SMILESCCC(=O)N1CCc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC(C)C)nc2C1
InChIInChI=1S/C24H32F2N6O/c1-4-22(33)32-8-7-20-21(15-32)28-23(27-16(2)3)24(29-20)31-11-9-30(10-12-31)14-17-5-6-18(25)13-19(17)26/h5-6,13,16H,4,7-12,14-15H2,1-3H3,(H,27,28)
InChIKeyRASASWOICGGBDJ-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.19
Rot. Bonds6

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

1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one (PubChem CID 118159125) has the molecular formula C24H32F2N6O and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one
PubChem CID118159125
Molecular FormulaC24H32F2N6O
Molecular Weight458.56 g/mol
Exact Mass458.26
IUPAC Name1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one
SMILESCCC(=O)N1CCc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC(C)C)nc2C1
InChIInChI=1S/C24H32F2N6O/c1-4-22(33)32-8-7-20-21(15-32)28-23(27-16(2)3)24(29-20)31-11-9-30(10-12-31)14-17-5-6-18(25)13-19(17)26/h5-6,13,16H,4,7-12,14-15H2,1-3H3,(H,27,28)
InChIKeyRASASWOICGGBDJ-UHFFFAOYSA-N
XLogP3.19
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one?
The IUPAC name of 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one (CID 118159125) is 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one.
What is the SMILES notation for 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one?
The canonical SMILES for 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one is CCC(=O)N1CCc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC(C)C)nc2C1.
What is the InChIKey of 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one?
The InChIKey is RASASWOICGGBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N6O/c1-4-22(33)32-8-7-20-21(15-32)28-23(27-16(2)3)24(29-20)31-11-9-30(10-12-31)14-17-5-6-18(25)13-19(17)26/h5-6,13,16H,4,7-12,14-15H2,1-3H3,(H,27,28).
What are the key properties of 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one?
1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one has a molecular weight of 458.56 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one is sourced from PubChem (CID 118159125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).