4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

C114H108F4N10O6S — CID 165079658

IUPAC4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(OC2COC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1ccnc2c1C=C(c1nccs1)C2
InChIInChI=1S/C30H31FN2O.C29H29FN2O.C28H25FN2O4.C27H23FN4S/c1-17(2)28-29(18(3)33-30(28)26-14-20(31)15-27-24(26)11-12-32-27)25-16-22(34-21-8-4-5-9-21)13-19-7-6-10-23(19)25;1-16(2)27-28(17(3)32-29(27)25-13-19(30)14-26-23(25)10-11-31-26)24-15-21(33-20-7-5-8-20)12-18-6-4-9-22(18)24;1-14(2)24-25(21-11-17(35-18-12-34-13-18)8-15-4-3-5-19(15)21)27(28(32)33)31-26(24)22-9-16(29)10-23-20(22)6-7-30-23;1-14(2)24-25(15(3)32-26(24)21-12-17(28)13-23-18(21)4-6-30-23)19-5-7-29-22-11-16(10-20(19)22)27-31-8-9-33-27/h6,10-17,21,32-33H,4-5,7-9H2,1-3H3;4,9-16,20,31-32H,5-8H2,1-3H3;3,5-11,14,18,30-31H,4,12-13H2,1-2H3,(H,32,33);4-10,12-14,30,32H,11H2,1-3H3
InChIKeyUXGQCSJNISMYCF-UHFFFAOYSA-N
MW1822.24 g/mol
LogP29.68
Rot. Bonds20

About 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 165079658) has the molecular formula C114H108F4N10O6S and a molecular weight of 1822.24 g/mol. Its IUPAC name is 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
PubChem CID165079658
Molecular FormulaC114H108F4N10O6S
Molecular Weight1822.24 g/mol
Exact Mass1820.81
IUPAC Name4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(OC2COC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1ccnc2c1C=C(c1nccs1)C2
InChIInChI=1S/C30H31FN2O.C29H29FN2O.C28H25FN2O4.C27H23FN4S/c1-17(2)28-29(18(3)33-30(28)26-14-20(31)15-27-24(26)11-12-32-27)25-16-22(34-21-8-4-5-9-21)13-19-7-6-10-23(19)25;1-16(2)27-28(17(3)32-29(27)25-13-19(30)14-26-23(25)10-11-31-26)24-15-21(33-20-7-5-8-20)12-18-6-4-9-22(18)24;1-14(2)24-25(21-11-17(35-18-12-34-13-18)8-15-4-3-5-19(15)21)27(28(32)33)31-26(24)22-9-16(29)10-23-20(22)6-7-30-23;1-14(2)24-25(15(3)32-26(24)21-12-17(28)13-23-18(21)4-6-30-23)19-5-7-29-22-11-16(10-20(19)22)27-31-8-9-33-27/h6,10-17,21,32-33H,4-5,7-9H2,1-3H3;4,9-16,20,31-32H,5-8H2,1-3H3;3,5-11,14,18,30-31H,4,12-13H2,1-2H3,(H,32,33);4-10,12-14,30,32H,11H2,1-3H3
InChIKeyUXGQCSJNISMYCF-UHFFFAOYSA-N
XLogP29.68
TPSA226.32 Ų
H-Bond Donors9
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms135
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001822.24
LogP ≤ 529.68
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 108

Analyze 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (CID 165079658) is 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(OC2COC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1ccnc2c1C=C(c1nccs1)C2.
What is the InChIKey of 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is UXGQCSJNISMYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN2O.C29H29FN2O.C28H25FN2O4.C27H23FN4S/c1-17(2)28-29(18(3)33-30(28)26-14-20(31)15-27-24(26)11-12-32-27)25-16-22(34-21-8-4-5-9-21)13-19-7-6-10-23(19)25;1-16(2)27-28(17(3)32-29(27)25-13-19(30)14-26-23(25)10-11-31-26)24-15-21(33-20-7-5-8-20)12-18-6-4-9-22(18)24;1-14(2)24-25(21-11-17(35-18-12-34-13-18)8-15-4-3-5-19(15)21)27(28(32)33)31-26(24)22-9-16(29)10-23-20(22)6-7-30-23;1-14(2)24-25(15(3)32-26(24)21-12-17(28)13-23-18(21)4-6-30-23)19-5-7-29-22-11-16(10-20(19)22)27-31-8-9-33-27/h6,10-17,21,32-33H,4-5,7-9H2,1-3H3;4,9-16,20,31-32H,5-8H2,1-3H3;3,5-11,14,18,30-31H,4,12-13H2,1-2H3,(H,32,33);4-10,12-14,30,32H,11H2,1-3H3.
What are the key properties of 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 1822.24 g/mol, XLogP of 29.68, 20 rotatable bonds, 9 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 165079658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).