1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide

C26H24FN5O2 — CID 50781087

IUPAC1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C26H24FN5O2/c27-20-8-4-9-21(16-20)29-25(33)19-11-14-31(15-12-19)24-26(34)32(17-18-6-2-1-3-7-18)23-22(30-24)10-5-13-28-23/h1-10,13,16,19H,11-12,14-15,17H2,(H,29,33)
InChIKeyYRIJLEHKKKSDEB-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.83
Rot. Bonds5

About 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide

1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 50781087) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID50781087
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C26H24FN5O2/c27-20-8-4-9-21(16-20)29-25(33)19-11-14-31(15-12-19)24-26(34)32(17-18-6-2-1-3-7-18)23-22(30-24)10-5-13-28-23/h1-10,13,16,19H,11-12,14-15,17H2,(H,29,33)
InChIKeyYRIJLEHKKKSDEB-UHFFFAOYSA-N
XLogP3.83
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 50781368
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 50781121
N-(3-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781641
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 50781226
N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 50781388
(3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 92869806
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 50781075
4-benzyl-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021545
N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781349
N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 50781674
4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021549
4-benzyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021557

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 50781087) is 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is YRIJLEHKKKSDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c27-20-8-4-9-21(16-20)29-25(33)19-11-14-31(15-12-19)24-26(34)32(17-18-6-2-1-3-7-18)23-22(30-24)10-5-13-28-23/h1-10,13,16,19H,11-12,14-15,17H2,(H,29,33).
What are the key properties of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 50781087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).