4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one

C27H33N5O2 — CID 50781639

IUPAC4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
SMILESCc1ccc(Cn2c(=O)c(N3CCCC(C(=O)N4CCC(C)CC4)C3)nc3cccnc32)cc1
InChIInChI=1S/C27H33N5O2/c1-19-7-9-21(10-8-19)17-32-24-23(6-3-13-28-24)29-25(27(32)34)31-14-4-5-22(18-31)26(33)30-15-11-20(2)12-16-30/h3,6-10,13,20,22H,4-5,11-12,14-18H2,1-2H3
InChIKeyYWLOYCRQAOQBJA-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.62
Rot. Bonds4

About 4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one

4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 50781639) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
PubChem CID50781639
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
SMILESCc1ccc(Cn2c(=O)c(N3CCCC(C(=O)N4CCC(C)CC4)C3)nc3cccnc32)cc1
InChIInChI=1S/C27H33N5O2/c1-19-7-9-21(10-8-19)17-32-24-23(6-3-13-28-24)29-25(27(32)34)31-14-4-5-22(18-31)26(33)30-15-11-20(2)12-16-30/h3,6-10,13,20,22H,4-5,11-12,14-18H2,1-2H3
InChIKeyYWLOYCRQAOQBJA-UHFFFAOYSA-N
XLogP3.62
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-4-[(4-methylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 83276810
(3S)-N-cyclooctyl-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92869797
N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781351
(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-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889244
1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 46324928
N-(3-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781641
4-benzyl-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021545
N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 46259573
(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889292
1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 50781590

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one (CID 50781639) is 4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one is Cc1ccc(Cn2c(=O)c(N3CCCC(C(=O)N4CCC(C)CC4)C3)nc3cccnc32)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is YWLOYCRQAOQBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-19-7-9-21(10-8-19)17-32-24-23(6-3-13-28-24)29-25(27(32)34)31-14-4-5-22(18-31)26(33)30-15-11-20(2)12-16-30/h3,6-10,13,20,22H,4-5,11-12,14-18H2,1-2H3.
What are the key properties of 4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one?
4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 459.59 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 50781639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).