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

C25H26F2N6O2 — CID 170793677

IUPAC1-[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
SMILESCC(=O)N1CCc2nc(N3CCC(C(=O)c4ccc(F)cc4F)CC3)c(-c3cnn(C)c3)nc2C1
InChIInChI=1S/C25H26F2N6O2/c1-15(34)33-10-7-21-22(14-33)29-23(17-12-28-31(2)13-17)25(30-21)32-8-5-16(6-9-32)24(35)19-4-3-18(26)11-20(19)27/h3-4,11-13,16H,5-10,14H2,1-2H3
InChIKeyBYRZUGJDKOSMAU-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.16
Rot. Bonds4

About 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

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 (PubChem CID 170793677) has the molecular formula C25H26F2N6O2 and a molecular weight of 480.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID170793677
Molecular FormulaC25H26F2N6O2
Molecular Weight480.52 g/mol
Exact Mass480.21
IUPAC Name1-[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
SMILESCC(=O)N1CCc2nc(N3CCC(C(=O)c4ccc(F)cc4F)CC3)c(-c3cnn(C)c3)nc2C1
InChIInChI=1S/C25H26F2N6O2/c1-15(34)33-10-7-21-22(14-33)29-23(17-12-28-31(2)13-17)25(30-21)32-8-5-16(6-9-32)24(35)19-4-3-18(26)11-20(19)27/h3-4,11-13,16H,5-10,14H2,1-2H3
InChIKeyBYRZUGJDKOSMAU-UHFFFAOYSA-N
XLogP3.16
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCc2nc(N3CCC(C(=O)c4ccc(F)cc4F)CC3)c(-c3cnn(C)c3)nc2C1.
What is the InChIKey of 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?
The InChIKey is BYRZUGJDKOSMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O2/c1-15(34)33-10-7-21-22(14-33)29-23(17-12-28-31(2)13-17)25(30-21)32-8-5-16(6-9-32)24(35)19-4-3-18(26)11-20(19)27/h3-4,11-13,16H,5-10,14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 480.52 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170793677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).