N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide

C81H90N20O8 — CID 159918627

About N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide

N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide (PubChem CID 159918627) has the molecular formula C81H90N20O8 and a molecular weight of 1471.74 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide
• PubChem CID: 159918627
• Molecular Formula: C81H90N20O8
• Molecular Weight: 1471.74 g/mol
• Exact Mass: 1470.73
• IUPAC Name: N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide
• SMILES: CNC(=O)c1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.CNC(=O)c1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2cc(C)n(C)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C28H33N7O2.C27H30N6O4.C26H27N7O2/c1-29-28(36)20-13-23(15-24(14-20)37-3)35(12-6-11-34-9-4-5-10-34)22-7-8-25-26(16-22)32-27(18-30-25)21-17-31-33(2)19-21;1-28-27(35)18-11-21(13-22(12-18)36-2)32(8-9-34)20-6-7-23-24(14-20)31-25(16-29-23)19-15-30-33(17-19)26-5-3-4-10-37-26;1-17-8-19(30-32(17)3)16-33(21-9-22(34-4)12-23(10-21)35-5)20-6-7-24-25(11-20)29-26(14-27-24)18-13-28-31(2)15-18/h7-8,13-19H,4-6,9-12H2,1-3H3,(H,29,36);6-7,11-17,26,34H,3-5,8-10H2,1-2H3,(H,28,35);6-15H,16H2,1-5H3
• InChIKey: NYCORMXABVVEJL-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 286.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1471.74
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide?

The IUPAC name of N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide (CID 159918627) is N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide is CNC(=O)c1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.CNC(=O)c1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2cc(C)n(C)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide?

The InChIKey is NYCORMXABVVEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2.C27H30N6O4.C26H27N7O2/c1-29-28(36)20-13-23(15-24(14-20)37-3)35(12-6-11-34-9-4-5-10-34)22-7-8-25-26(16-22)32-27(18-30-25)21-17-31-33(2)19-21;1-28-27(35)18-11-21(13-22(12-18)36-2)32(8-9-34)20-6-7-23-24(14-20)31-25(16-29-23)19-15-30-33(17-19)26-5-3-4-10-37-26;1-17-8-19(30-32(17)3)16-33(21-9-22(34-4)12-23(10-21)35-5)20-6-7-24-25(11-20)29-26(14-27-24)18-13-28-31(2)15-18/h7-8,13-19H,4-6,9-12H2,1-3H3,(H,29,36);6-7,11-17,26,34H,3-5,8-10H2,1-2H3,(H,28,35);6-15H,16H2,1-5H3.

What are the key properties of N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide?

N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide has a molecular weight of 1471.74 g/mol, XLogP of 12.14, 24 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-hydroxyethyl-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]benzamide is sourced from PubChem (CID 159918627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).