4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one

C126H126Cl2N18O10 — CID 158849905

About 4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one

4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one (PubChem CID 158849905) has the molecular formula C126H126Cl2N18O10 and a molecular weight of 2123.42 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one.

Molecular Properties

• Compound Name: 4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one
• PubChem CID: 158849905
• Molecular Formula: C126H126Cl2N18O10
• Molecular Weight: 2123.42 g/mol
• Exact Mass: 2120.93
• IUPAC Name: 4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one
• SMILES: COc1cc(Cl)ccc1-c1ccn(-c2ccc3c4c(n(C)c3c2)CCN(C)C4)c(=O)c1.COc1cc(Cl)ccc1-c1ccn(-c2ccc3c4c(n(C)c3c2)CCNC4)c(=O)c1.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCN(CC1CCCN1)C2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCNC2(C)C.Cn1c2c(c3ccc(-n4ccc(OCc5ncccn5)cc4=O)cc31)CNCC2
• InChI: InChI=1S/C29H32N4O2.C26H27N3O2.C25H24ClN3O2.C24H22ClN3O2.C22H21N5O2/c1-31-27-16-23(33-15-11-24(17-29(33)34)35-20-21-6-3-2-4-7-21)9-10-25(27)26-12-14-32(19-28(26)31)18-22-8-5-13-30-22;1-26(2)25-22(11-13-27-26)21-10-9-19(15-23(21)28(25)3)29-14-12-20(16-24(29)30)31-17-18-7-5-4-6-8-18;1-27-10-9-22-21(15-27)20-7-5-18(14-23(20)28(22)2)29-11-8-16(12-25(29)30)19-6-4-17(26)13-24(19)31-3;1-27-21-7-9-26-14-20(21)19-6-4-17(13-22(19)27)28-10-8-15(11-24(28)29)18-5-3-16(25)12-23(18)30-2;1-26-19-5-9-23-13-18(19)17-4-3-15(11-20(17)26)27-10-6-16(12-22(27)28)29-14-21-24-7-2-8-25-21/h2-4,6-7,9-11,15-17,22,30H,5,8,12-14,18-20H2,1H3;4-10,12,14-16,27H,11,13,17H2,1-3H3;4-8,11-14H,9-10,15H2,1-3H3;3-6,8,10-13,26H,7,9,14H2,1-2H3;2-4,6-8,10-12,23H,5,9,13-14H2,1H3
• InChIKey: IZHVNHDTYVPONI-UHFFFAOYSA-N
• XLogP: 19.60
• TPSA: 261.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.42
LogP ≤ 5	19.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one?

The IUPAC name of 4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one (CID 158849905) is 4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one.

What is the SMILES notation for 4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one?

The canonical SMILES for 4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one is COc1cc(Cl)ccc1-c1ccn(-c2ccc3c4c(n(C)c3c2)CCN(C)C4)c(=O)c1.COc1cc(Cl)ccc1-c1ccn(-c2ccc3c4c(n(C)c3c2)CCNC4)c(=O)c1.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCN(CC1CCCN1)C2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCNC2(C)C.Cn1c2c(c3ccc(-n4ccc(OCc5ncccn5)cc4=O)cc31)CNCC2.

What is the InChIKey of 4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one?

The InChIKey is IZHVNHDTYVPONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2.C26H27N3O2.C25H24ClN3O2.C24H22ClN3O2.C22H21N5O2/c1-31-27-16-23(33-15-11-24(17-29(33)34)35-20-21-6-3-2-4-7-21)9-10-25(27)26-12-14-32(19-28(26)31)18-22-8-5-13-30-22;1-26(2)25-22(11-13-27-26)21-10-9-19(15-23(21)28(25)3)29-14-12-20(16-24(29)30)31-17-18-7-5-4-6-8-18;1-27-10-9-22-21(15-27)20-7-5-18(14-23(20)28(22)2)29-11-8-16(12-25(29)30)19-6-4-17(26)13-24(19)31-3;1-27-21-7-9-26-14-20(21)19-6-4-17(13-22(19)27)28-10-8-15(11-24(28)29)18-5-3-16(25)12-23(18)30-2;1-26-19-5-9-23-13-18(19)17-4-3-15(11-20(17)26)27-10-6-16(12-22(27)28)29-14-21-24-7-2-8-25-21/h2-4,6-7,9-11,15-17,22,30H,5,8,12-14,18-20H2,1H3;4-10,12,14-16,27H,11,13,17H2,1-3H3;4-8,11-14H,9-10,15H2,1-3H3;3-6,8,10-13,26H,7,9,14H2,1-2H3;2-4,6-8,10-12,23H,5,9,13-14H2,1H3.

What are the key properties of 4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one?

4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one has a molecular weight of 2123.42 g/mol, XLogP of 19.60, 20 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one is sourced from PubChem (CID 158849905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).