2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one

C27H35N5O3 — CID 118608634

IUPAC2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one
SMILESCC1CCCN(C(=O)c2cccc(Nc3cc4c(cn3)N(C)C(=O)C(C)N4C3CCOCC3)c2)C1
InChIInChI=1S/C27H35N5O3/c1-18-6-5-11-31(17-18)27(34)20-7-4-8-21(14-20)29-25-15-23-24(16-28-25)30(3)26(33)19(2)32(23)22-9-12-35-13-10-22/h4,7-8,14-16,18-19,22H,5-6,9-13,17H2,1-3H3,(H,28,29)
InChIKeyAPYGPAKLBRIHCI-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.05
Rot. Bonds4

About 2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one

2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one (PubChem CID 118608634) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one
PubChem CID118608634
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC Name2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one
SMILESCC1CCCN(C(=O)c2cccc(Nc3cc4c(cn3)N(C)C(=O)C(C)N4C3CCOCC3)c2)C1
InChIInChI=1S/C27H35N5O3/c1-18-6-5-11-31(17-18)27(34)20-7-4-8-21(14-20)29-25-15-23-24(16-28-25)30(3)26(33)19(2)32(23)22-9-12-35-13-10-22/h4,7-8,14-16,18-19,22H,5-6,9-13,17H2,1-3H3,(H,28,29)
InChIKeyAPYGPAKLBRIHCI-UHFFFAOYSA-N
XLogP4.05
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide
CID 118608663
N-[3-[[5-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109161758
(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23725328
methyl 3-[[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109355205
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264391
[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175747
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175732
3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide
CID 118618107
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109240802

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one (CID 118608634) is 2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one is CC1CCCN(C(=O)c2cccc(Nc3cc4c(cn3)N(C)C(=O)C(C)N4C3CCOCC3)c2)C1.
What is the InChIKey of 2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one?
The InChIKey is APYGPAKLBRIHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3/c1-18-6-5-11-31(17-18)27(34)20-7-4-8-21(14-20)29-25-15-23-24(16-28-25)30(3)26(33)19(2)32(23)22-9-12-35-13-10-22/h4,7-8,14-16,18-19,22H,5-6,9-13,17H2,1-3H3,(H,28,29).
What are the key properties of 2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one?
2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one has a molecular weight of 477.61 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 118608634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).