4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid

C107H106Cl5FN12O12 — CID 157286148

IUPAC4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid
SMILESCC(C)n1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)cc2)=NO3)c2cc(Cl)cc(Cl)c21.CC(C)n1ccc2c(CN3CCC4(CC3)CC(c3ccc(C(=O)O)cc3)=NO4)ccc(Cl)c21.O=C(O)c1ccc(C2=NOC3(CCN(Cc4c[nH]c5cccc(-c6ccc(F)cc6)c45)CC3)C2)cc1.O=C(O)c1ccc(C2=NOC3(CCN(Cc4cn(C5CC5)c5c(Cl)ccc(Cl)c45)CC3)C2)cc1
InChIInChI=1S/C29H26FN3O3.C26H25Cl2N3O3.C26H27Cl2N3O3.C26H28ClN3O3/c30-23-10-8-19(9-11-23)24-2-1-3-25-27(24)22(17-31-25)18-33-14-12-29(13-15-33)16-26(32-36-29)20-4-6-21(7-5-20)28(34)35;27-20-7-8-21(28)24-23(20)18(15-31(24)19-5-6-19)14-30-11-9-26(10-12-30)13-22(29-34-26)16-1-3-17(4-2-16)25(32)33;1-16(2)31-15-19(21-11-20(27)12-22(28)24(21)31)14-30-9-7-26(8-10-30)13-23(29-34-26)17-3-5-18(6-4-17)25(32)33;1-17(2)30-12-9-21-20(7-8-22(27)24(21)30)16-29-13-10-26(11-14-29)15-23(28-33-26)18-3-5-19(6-4-18)25(31)32/h1-11,17,31H,12-16,18H2,(H,34,35);1-4,7-8,15,19H,5-6,9-14H2,(H,32,33);3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,32,33);3-9,12,17H,10-11,13-16H2,1-2H3,(H,31,32)
InChIKeyBAGIGZUZSVAIHM-UHFFFAOYSA-N
MW1948.36 g/mol
LogP24.09
Rot. Bonds20

About 4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid

4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid (PubChem CID 157286148) has the molecular formula C107H106Cl5FN12O12 and a molecular weight of 1948.36 g/mol. Its IUPAC name is 4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid
PubChem CID157286148
Molecular FormulaC107H106Cl5FN12O12
Molecular Weight1948.36 g/mol
Exact Mass1944.65
IUPAC Name4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid
SMILESCC(C)n1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)cc2)=NO3)c2cc(Cl)cc(Cl)c21.CC(C)n1ccc2c(CN3CCC4(CC3)CC(c3ccc(C(=O)O)cc3)=NO4)ccc(Cl)c21.O=C(O)c1ccc(C2=NOC3(CCN(Cc4c[nH]c5cccc(-c6ccc(F)cc6)c45)CC3)C2)cc1.O=C(O)c1ccc(C2=NOC3(CCN(Cc4cn(C5CC5)c5c(Cl)ccc(Cl)c45)CC3)C2)cc1
InChIInChI=1S/C29H26FN3O3.C26H25Cl2N3O3.C26H27Cl2N3O3.C26H28ClN3O3/c30-23-10-8-19(9-11-23)24-2-1-3-25-27(24)22(17-31-25)18-33-14-12-29(13-15-33)16-26(32-36-29)20-4-6-21(7-5-20)28(34)35;27-20-7-8-21(28)24-23(20)18(15-31(24)19-5-6-19)14-30-11-9-26(10-12-30)13-22(29-34-26)16-1-3-17(4-2-16)25(32)33;1-16(2)31-15-19(21-11-20(27)12-22(28)24(21)31)14-30-9-7-26(8-10-30)13-23(29-34-26)17-3-5-18(6-4-17)25(32)33;1-17(2)30-12-9-21-20(7-8-22(27)24(21)30)16-29-13-10-26(11-14-29)15-23(28-33-26)18-3-5-19(6-4-18)25(31)32/h1-11,17,31H,12-16,18H2,(H,34,35);1-4,7-8,15,19H,5-6,9-14H2,(H,32,33);3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,32,33);3-9,12,17H,10-11,13-16H2,1-2H3,(H,31,32)
InChIKeyBAGIGZUZSVAIHM-UHFFFAOYSA-N
XLogP24.09
TPSA279.10 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001948.36
LogP ≤ 524.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid?
The IUPAC name of 4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid (CID 157286148) is 4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid.
What is the SMILES notation for 4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid?
The canonical SMILES for 4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid is CC(C)n1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)cc2)=NO3)c2cc(Cl)cc(Cl)c21.CC(C)n1ccc2c(CN3CCC4(CC3)CC(c3ccc(C(=O)O)cc3)=NO4)ccc(Cl)c21.O=C(O)c1ccc(C2=NOC3(CCN(Cc4c[nH]c5cccc(-c6ccc(F)cc6)c45)CC3)C2)cc1.O=C(O)c1ccc(C2=NOC3(CCN(Cc4cn(C5CC5)c5c(Cl)ccc(Cl)c45)CC3)C2)cc1.
What is the InChIKey of 4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid?
The InChIKey is BAGIGZUZSVAIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN3O3.C26H25Cl2N3O3.C26H27Cl2N3O3.C26H28ClN3O3/c30-23-10-8-19(9-11-23)24-2-1-3-25-27(24)22(17-31-25)18-33-14-12-29(13-15-33)16-26(32-36-29)20-4-6-21(7-5-20)28(34)35;27-20-7-8-21(28)24-23(20)18(15-31(24)19-5-6-19)14-30-11-9-26(10-12-30)13-22(29-34-26)16-1-3-17(4-2-16)25(32)33;1-16(2)31-15-19(21-11-20(27)12-22(28)24(21)31)14-30-9-7-26(8-10-30)13-23(29-34-26)17-3-5-18(6-4-17)25(32)33;1-17(2)30-12-9-21-20(7-8-22(27)24(21)30)16-29-13-10-26(11-14-29)15-23(28-33-26)18-3-5-19(6-4-18)25(31)32/h1-11,17,31H,12-16,18H2,(H,34,35);1-4,7-8,15,19H,5-6,9-14H2,(H,32,33);3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,32,33);3-9,12,17H,10-11,13-16H2,1-2H3,(H,31,32).
What are the key properties of 4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid?
4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid has a molecular weight of 1948.36 g/mol, XLogP of 24.09, 20 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(7-chloro-1-propan-2-ylindol-4-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4,7-dichloro-1-cyclopropylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(5,7-dichloro-1-propan-2-ylindol-3-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(4-fluorophenyl)-1H-indol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid is sourced from PubChem (CID 157286148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).