4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid

C109H119Cl3N10O14 — CID 160777083

About 4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid

4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid (PubChem CID 160777083) has the molecular formula C109H119Cl3N10O14 and a molecular weight of 1899.57 g/mol. Its IUPAC name is 4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid.

Molecular Properties

• Compound Name: 4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid
• PubChem CID: 160777083
• Molecular Formula: C109H119Cl3N10O14
• Molecular Weight: 1899.57 g/mol
• Exact Mass: 1896.80
• IUPAC Name: 4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid
• SMILES: CC1(C)CCc2cc(C3CC3)cc(CN3CCC4(CC3)CC(c3ccc(C(=O)O)cc3)=NO4)c2O1.CC1(C)CCc2cc(Cl)cc(CN3CCC4(CC3)CC(c3ccc(C(=O)O)cc3)=NO4)c2O1.Cc1cc(Cl)cc2c(CN3CCC4(CC3)CC(c3ccc(C(=O)O)cc3)=NO4)cn(C3CC3)c12.Cc1ccc(Cl)c2c1c(CN1CCC3(CC1)CC(c1ccc(C(=O)O)cc1)=NO3)cn2C1CC1
• InChI: InChI=1S/C29H34N2O4.2C27H28ClN3O3.C26H29ClN2O4/c1-28(2)10-9-22-15-23(19-3-4-19)16-24(26(22)34-28)18-31-13-11-29(12-14-31)17-25(30-35-29)20-5-7-21(8-6-20)27(32)33;1-17-2-9-22(28)25-24(17)20(16-31(25)21-7-8-21)15-30-12-10-27(11-13-30)14-23(29-34-27)18-3-5-19(6-4-18)26(32)33;1-17-12-21(28)13-23-20(16-31(25(17)23)22-6-7-22)15-30-10-8-27(9-11-30)14-24(29-34-27)18-2-4-19(5-3-18)26(32)33;1-25(2)8-7-19-13-21(27)14-20(23(19)32-25)16-29-11-9-26(10-12-29)15-22(28-33-26)17-3-5-18(6-4-17)24(30)31/h5-8,15-16,19H,3-4,9-14,17-18H2,1-2H3,(H,32,33);2-6,9,16,21H,7-8,10-15H2,1H3,(H,32,33);2-5,12-13,16,22H,6-11,14-15H2,1H3,(H,32,33);3-6,13-14H,7-12,15-16H2,1-2H3,(H,30,31)
• InChIKey: SABYPXKBPUARQN-UHFFFAOYSA-N
• XLogP: 22.42
• TPSA: 276.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1899.57
LogP ≤ 5	22.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid?

The IUPAC name of 4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid (CID 160777083) is 4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid.

What is the SMILES notation for 4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid?

The canonical SMILES for 4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid is CC1(C)CCc2cc(C3CC3)cc(CN3CCC4(CC3)CC(c3ccc(C(=O)O)cc3)=NO4)c2O1.CC1(C)CCc2cc(Cl)cc(CN3CCC4(CC3)CC(c3ccc(C(=O)O)cc3)=NO4)c2O1.Cc1cc(Cl)cc2c(CN3CCC4(CC3)CC(c3ccc(C(=O)O)cc3)=NO4)cn(C3CC3)c12.Cc1ccc(Cl)c2c1c(CN1CCC3(CC1)CC(c1ccc(C(=O)O)cc1)=NO3)cn2C1CC1.

What is the InChIKey of 4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid?

The InChIKey is SABYPXKBPUARQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4.2C27H28ClN3O3.C26H29ClN2O4/c1-28(2)10-9-22-15-23(19-3-4-19)16-24(26(22)34-28)18-31-13-11-29(12-14-31)17-25(30-35-29)20-5-7-21(8-6-20)27(32)33;1-17-2-9-22(28)25-24(17)20(16-31(25)21-7-8-21)15-30-12-10-27(11-13-30)14-23(29-34-27)18-3-5-19(6-4-18)26(32)33;1-17-12-21(28)13-23-20(16-31(25(17)23)22-6-7-22)15-30-10-8-27(9-11-30)14-24(29-34-27)18-2-4-19(5-3-18)26(32)33;1-25(2)8-7-19-13-21(27)14-20(23(19)32-25)16-29-11-9-26(10-12-29)15-22(28-33-26)17-3-5-18(6-4-17)24(30)31/h5-8,15-16,19H,3-4,9-14,17-18H2,1-2H3,(H,32,33);2-6,9,16,21H,7-8,10-15H2,1H3,(H,32,33);2-5,12-13,16,22H,6-11,14-15H2,1H3,(H,32,33);3-6,13-14H,7-12,15-16H2,1-2H3,(H,30,31).

What are the key properties of 4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid?

4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid has a molecular weight of 1899.57 g/mol, XLogP of 22.42, 19 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[(5-chloro-1-cyclopropyl-7-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(7-chloro-1-cyclopropyl-4-methylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(6-cyclopropyl-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid is sourced from PubChem (CID 160777083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).