1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane

C51H58N14O6 — CID 159549361

About 1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane

1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane (PubChem CID 159549361) has the molecular formula C51H58N14O6 and a molecular weight of 963.12 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane.

Molecular Properties

• Compound Name: 1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane
• PubChem CID: 159549361
• Molecular Formula: C51H58N14O6
• Molecular Weight: 963.12 g/mol
• Exact Mass: 962.47
• IUPAC Name: 1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane
• SMILES: C.COc1cc(/N=c2\ccc3ncc(-c4cnn(C)c4)nc3n2CCN2CCCC2=O)cc(OC)c1.COc1cc(OC)cc(N(CCN2CCCC2=O)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1
• InChI: InChI=1S/2C25H27N7O3.CH4/c1-30-16-17(14-27-30)22-15-26-21-6-7-23(29-25(21)28-22)32(10-9-31-8-4-5-24(31)33)18-11-19(34-2)13-20(12-18)35-3;1-30-16-17(14-27-30)22-15-26-21-6-7-23(28-18-11-19(34-2)13-20(12-18)35-3)32(25(21)29-22)10-9-31-8-4-5-24(31)33;/h2*6-7,11-16H,4-5,8-10H2,1-3H3;1H4/b;28-23+
• InChIKey: MFEVSYGIENICQG-GGMOUAFASA-N
• XLogP: 6.54
• TPSA: 198.16 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	963.12
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane?

The IUPAC name of 1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane (CID 159549361) is 1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane.

What is the SMILES notation for 1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane?

The canonical SMILES for 1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane is C.COc1cc(/N=c2\ccc3ncc(-c4cnn(C)c4)nc3n2CCN2CCCC2=O)cc(OC)c1.COc1cc(OC)cc(N(CCN2CCCC2=O)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1.

What is the InChIKey of 1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane?

The InChIKey is MFEVSYGIENICQG-GGMOUAFASA-N. The full InChI is InChI=1S/2C25H27N7O3.CH4/c1-30-16-17(14-27-30)22-15-26-21-6-7-23(29-25(21)28-22)32(10-9-31-8-4-5-24(31)33)18-11-19(34-2)13-20(12-18)35-3;1-30-16-17(14-27-30)22-15-26-21-6-7-23(28-18-11-19(34-2)13-20(12-18)35-3)32(25(21)29-22)10-9-31-8-4-5-24(31)33;/h2*6-7,11-16H,4-5,8-10H2,1-3H3;1H4/b;28-23+;.

What are the key properties of 1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane?

1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane has a molecular weight of 963.12 g/mol, XLogP of 6.54, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl]pyrrolidin-2-one;1-[2-[6-(3,5-dimethoxyphenyl)imino-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]ethyl]pyrrolidin-2-one;methane is sourced from PubChem (CID 159549361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).