1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate

C89H96N12O10 — CID 158201202

About 1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate

1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate (PubChem CID 158201202) has the molecular formula C89H96N12O10 and a molecular weight of 1493.82 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate.

Molecular Properties

• Compound Name: 1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
• PubChem CID: 158201202
• Molecular Formula: C89H96N12O10
• Molecular Weight: 1493.82 g/mol
• Exact Mass: 1492.74
• IUPAC Name: 1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
• SMILES: CN(C)CC(=O)N1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(C(=O)OCCN1CCCC1)CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(CC(=O)N1CCCC1)CC2
• InChI: InChI=1S/C31H34N4O4.C30H32N4O3.C28H30N4O3/c1-32-28-12-15-34(31(37)38-18-17-33-13-5-6-14-33)21-27(28)26-10-9-24(19-29(26)32)35-16-11-25(20-30(35)36)39-22-23-7-3-2-4-8-23;1-31-27-12-15-32(20-30(36)33-13-5-6-14-33)19-26(27)25-10-9-23(17-28(25)31)34-16-11-24(18-29(34)35)37-21-22-7-3-2-4-8-22;1-29(2)18-28(34)31-13-12-25-24(17-31)23-10-9-21(15-26(23)30(25)3)32-14-11-22(16-27(32)33)35-19-20-7-5-4-6-8-20/h2-4,7-11,16,19-20H,5-6,12-15,17-18,21-22H2,1H3;2-4,7-11,16-18H,5-6,12-15,19-21H2,1H3;4-11,14-16H,12-13,17-19H2,1-3H3
• InChIKey: GAYMLCATWNNARE-UHFFFAOYSA-N
• XLogP: 11.74
• TPSA: 188.36 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1493.82
LogP ≤ 5	11.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate?

The IUPAC name of 1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate (CID 158201202) is 1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate.

What is the SMILES notation for 1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate?

The canonical SMILES for 1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate is CN(C)CC(=O)N1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(C(=O)OCCN1CCCC1)CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(CC(=O)N1CCCC1)CC2.

What is the InChIKey of 1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate?

The InChIKey is GAYMLCATWNNARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O4.C30H32N4O3.C28H30N4O3/c1-32-28-12-15-34(31(37)38-18-17-33-13-5-6-14-33)21-27(28)26-10-9-24(19-29(26)32)35-16-11-25(20-30(35)36)39-22-23-7-3-2-4-8-23;1-31-27-12-15-32(20-30(36)33-13-5-6-14-33)19-26(27)25-10-9-23(17-28(25)31)34-16-11-24(18-29(34)35)37-21-22-7-3-2-4-8-22;1-29(2)18-28(34)31-13-12-25-24(17-31)23-10-9-21(15-26(23)30(25)3)32-14-11-22(16-27(32)33)35-19-20-7-5-4-6-8-20/h2-4,7-11,16,19-20H,5-6,12-15,17-18,21-22H2,1H3;2-4,7-11,16-18H,5-6,12-15,19-21H2,1H3;4-11,14-16H,12-13,17-19H2,1-3H3.

What are the key properties of 1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate?

1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate has a molecular weight of 1493.82 g/mol, XLogP of 11.74, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-(dimethylamino)acetyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate is sourced from PubChem (CID 158201202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).