2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid

C105H103Cl5N10O11S — CID 159097561

About 2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid

2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid (PubChem CID 159097561) has the molecular formula C105H103Cl5N10O11S and a molecular weight of 1890.37 g/mol. Its IUPAC name is 2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid
• PubChem CID: 159097561
• Molecular Formula: C105H103Cl5N10O11S
• Molecular Weight: 1890.37 g/mol
• Exact Mass: 1886.60
• IUPAC Name: 2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid
• SMILES: Cc1ccc(Sc2c3n(c4nccc(C)c24)CCCC3CC(=O)O)cc1.Cc1ccnc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCCC1CC(=O)O.Cc1ccnc2c1c(Cc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O.Cc1ccnc2c1c(Cc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O.Cc1ccnc2c1c(Cc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O
• InChI: InChI=1S/C21H20Cl2N2O2.C21H19ClN2O3.2C21H21ClN2O2.C21H22N2O2S/c1-12-6-7-24-21-19(12)15(9-13-4-5-16(22)17(23)10-13)20-14(11-18(26)27)3-2-8-25(20)21;1-12-8-9-23-21-17(12)18(20(27)13-4-6-15(22)7-5-13)19-14(11-16(25)26)3-2-10-24(19)21;2*1-13-8-9-23-21-19(13)17(11-14-4-6-16(22)7-5-14)20-15(12-18(25)26)3-2-10-24(20)21;1-13-5-7-16(8-6-13)26-20-18-14(2)9-10-22-21(18)23-11-3-4-15(19(20)23)12-17(24)25/h4-7,10,14H,2-3,8-9,11H2,1H3,(H,26,27);4-9,14H,2-3,10-11H2,1H3,(H,25,26);2*4-9,15H,2-3,10-12H2,1H3,(H,25,26);5-10,15H,3-4,11-12H2,1-2H3,(H,24,25)
• InChIKey: KCVZLURECHNPRQ-UHFFFAOYSA-N
• XLogP: 25.21
• TPSA: 292.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1890.37
LogP ≤ 5	25.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid?

The IUPAC name of 2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid (CID 159097561) is 2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid.

What is the SMILES notation for 2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid?

The canonical SMILES for 2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid is Cc1ccc(Sc2c3n(c4nccc(C)c24)CCCC3CC(=O)O)cc1.Cc1ccnc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCCC1CC(=O)O.Cc1ccnc2c1c(Cc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O.Cc1ccnc2c1c(Cc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O.Cc1ccnc2c1c(Cc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O.

What is the InChIKey of 2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid?

The InChIKey is KCVZLURECHNPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2.C21H19ClN2O3.2C21H21ClN2O2.C21H22N2O2S/c1-12-6-7-24-21-19(12)15(9-13-4-5-16(22)17(23)10-13)20-14(11-18(26)27)3-2-8-25(20)21;1-12-8-9-23-21-17(12)18(20(27)13-4-6-15(22)7-5-13)19-14(11-16(25)26)3-2-10-24(19)21;2*1-13-8-9-23-21-19(13)17(11-14-4-6-16(22)7-5-14)20-15(12-18(25)26)3-2-10-24(20)21;1-13-5-7-16(8-6-13)26-20-18-14(2)9-10-22-21(18)23-11-3-4-15(19(20)23)12-17(24)25/h4-7,10,14H,2-3,8-9,11H2,1H3,(H,26,27);4-9,14H,2-3,10-11H2,1H3,(H,25,26);2*4-9,15H,2-3,10-12H2,1H3,(H,25,26);5-10,15H,3-4,11-12H2,1-2H3,(H,24,25).

What are the key properties of 2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid?

2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid has a molecular weight of 1890.37 g/mol, XLogP of 25.21, 20 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-chlorobenzoyl)-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;bis(2-[5-[(4-chlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid);2-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-[4-methyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid is sourced from PubChem (CID 159097561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).