(3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide

C28H29N5O2S — CID 92869806

IUPAC(3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
SMILESCSc1cccc(NC(=O)[C@@H]2CCCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)C2)c1
InChIInChI=1S/C28H29N5O2S/c1-19-10-12-20(13-11-19)17-33-25-24(9-4-14-29-25)31-26(28(33)35)32-15-5-6-21(18-32)27(34)30-22-7-3-8-23(16-22)36-2/h3-4,7-14,16,21H,5-6,15,17-18H2,1-2H3,(H,30,34)/t21-/m1/s1
InChIKeyJNZUGDLIWGLKPU-OAQYLSRUSA-N
MW499.64 g/mol
LogP4.73
Rot. Bonds6

About (3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide

(3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide (PubChem CID 92869806) has the molecular formula C28H29N5O2S and a molecular weight of 499.64 g/mol. Its IUPAC name is (3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
PubChem CID92869806
Molecular FormulaC28H29N5O2S
Molecular Weight499.64 g/mol
Exact Mass499.20
IUPAC Name(3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
SMILESCSc1cccc(NC(=O)[C@@H]2CCCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)C2)c1
InChIInChI=1S/C28H29N5O2S/c1-19-10-12-20(13-11-19)17-33-25-24(9-4-14-29-25)31-26(28(33)35)32-15-5-6-21(18-32)27(34)30-22-7-3-8-23(16-22)36-2/h3-4,7-14,16,21H,5-6,15,17-18H2,1-2H3,(H,30,34)/t21-/m1/s1
InChIKeyJNZUGDLIWGLKPU-OAQYLSRUSA-N
XLogP4.73
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781641
N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781351
N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781349
1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 46324928
(3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889244
(3S)-N-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889280
(3R)-N-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889279
(3S)-N-cyclooctyl-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92869797
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 50781368
N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 46259573
4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781639
(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889292

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide (CID 92869806) is (3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide is CSc1cccc(NC(=O)[C@@H]2CCCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)C2)c1.
What is the InChIKey of (3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide?
The InChIKey is JNZUGDLIWGLKPU-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H29N5O2S/c1-19-10-12-20(13-11-19)17-33-25-24(9-4-14-29-25)31-26(28(33)35)32-15-5-6-21(18-32)27(34)30-22-7-3-8-23(16-22)36-2/h3-4,7-14,16,21H,5-6,15,17-18H2,1-2H3,(H,30,34)/t21-/m1/s1.
What are the key properties of (3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide?
(3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide has a molecular weight of 499.64 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92869806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).