6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one

C25H25F2N5O3 — CID 170794217

IUPAC6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one
SMILESCC(=O)N1CCc2nc(-c3cccc(=O)[nH]3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1
InChIInChI=1S/C25H25F2N5O3/c1-15(33)32-12-9-19-21(14-32)30-25(24(29-19)20-3-2-4-23(34)28-20)31-10-7-17(8-11-31)35-22-6-5-16(26)13-18(22)27/h2-6,13,17H,7-12,14H2,1H3,(H,28,34)
InChIKeyUOEVIYZHUOVIMA-UHFFFAOYSA-N
MW481.50 g/mol
LogP3.06
Rot. Bonds4

About 6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one

6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one (PubChem CID 170794217) has the molecular formula C25H25F2N5O3 and a molecular weight of 481.50 g/mol. Its IUPAC name is 6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one
PubChem CID170794217
Molecular FormulaC25H25F2N5O3
Molecular Weight481.50 g/mol
Exact Mass481.19
IUPAC Name6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one
SMILESCC(=O)N1CCc2nc(-c3cccc(=O)[nH]3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1
InChIInChI=1S/C25H25F2N5O3/c1-15(33)32-12-9-19-21(14-32)30-25(24(29-19)20-3-2-4-23(34)28-20)31-10-7-17(8-11-31)35-22-6-5-16(26)13-18(22)27/h2-6,13,17H,7-12,14H2,1H3,(H,28,34)
InChIKeyUOEVIYZHUOVIMA-UHFFFAOYSA-N
XLogP3.06
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-[6-(methoxymethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 170793746
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-piperidin-4-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 174258438
1-[3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone;hydrochloride
CID 155520163
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(4-hydroxycyclohexyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 170794076
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-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 170794245
1-[3-[[(2S)-butan-2-yl]amino]-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 118159206
1-[3-(butan-2-ylamino)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 118159202
3-[4-[6-acetyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]pyrazol-1-yl]propanenitrile
CID 174256241
1-[3-(cyclobutylamino)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155530682
1-[3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155551686
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 170793804

Frequently Asked Questions

What is the IUPAC name of 6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one (CID 170794217) is 6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one is CC(=O)N1CCc2nc(-c3cccc(=O)[nH]3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1.
What is the InChIKey of 6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one?
The InChIKey is UOEVIYZHUOVIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O3/c1-15(33)32-12-9-19-21(14-32)30-25(24(29-19)20-3-2-4-23(34)28-20)31-10-7-17(8-11-31)35-22-6-5-16(26)13-18(22)27/h2-6,13,17H,7-12,14H2,1H3,(H,28,34).
What are the key properties of 6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one?
6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one has a molecular weight of 481.50 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-acetyl-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 170794217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).