3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid

C118H103F4N13O12S2 — CID 165013174

IUPAC3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(C(=O)N2CCCC2)cc2c1C=CC2.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(C(=O)NCC2CC2)cc2c1C=CC2.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(C(=O)NCc2nccs2)cc2c1C=CC2.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(Oc2nccs2)cc2c1C=CC2
InChIInChI=1S/C30H25FN4O3S.2C30H28FN3O3.C28H22FN3O3S/c1-15(2)25-26(28(30(37)38)35-27(25)22-12-18(31)13-23-20(22)6-7-32-23)21-11-17(10-16-4-3-5-19(16)21)29(36)34-14-24-33-8-9-39-24;1-16(2)25-26(22-13-18(12-17-6-5-7-20(17)22)29(35)34-10-3-4-11-34)28(30(36)37)33-27(25)23-14-19(31)15-24-21(23)8-9-32-24;1-15(2)25-26(22-11-18(10-17-4-3-5-20(17)22)29(35)33-14-16-6-7-16)28(30(36)37)34-27(25)23-12-19(31)13-24-21(23)8-9-32-24;1-14(2)23-24(20-13-17(35-28-31-8-9-36-28)10-15-4-3-5-18(15)20)26(27(33)34)32-25(23)21-11-16(29)12-22-19(21)6-7-30-22/h3,5-13,15,32,35H,4,14H2,1-2H3,(H,34,36)(H,37,38);5,7-9,12-16,32-33H,3-4,6,10-11H2,1-2H3,(H,36,37);3,5,8-13,15-16,32,34H,4,6-7,14H2,1-2H3,(H,33,35)(H,36,37);3,5-14,30,32H,4H2,1-2H3,(H,33,34)
InChIKeyJZXGVIJRGFXRSZ-UHFFFAOYSA-N
MW2035.33 g/mol
LogP27.45
Rot. Bonds25

About 3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid

3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid (PubChem CID 165013174) has the molecular formula C118H103F4N13O12S2 and a molecular weight of 2035.33 g/mol. Its IUPAC name is 3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid
PubChem CID165013174
Molecular FormulaC118H103F4N13O12S2
Molecular Weight2035.33 g/mol
Exact Mass2033.72
IUPAC Name3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(C(=O)N2CCCC2)cc2c1C=CC2.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(C(=O)NCC2CC2)cc2c1C=CC2.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(C(=O)NCc2nccs2)cc2c1C=CC2.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(Oc2nccs2)cc2c1C=CC2
InChIInChI=1S/C30H25FN4O3S.2C30H28FN3O3.C28H22FN3O3S/c1-15(2)25-26(28(30(37)38)35-27(25)22-12-18(31)13-23-20(22)6-7-32-23)21-11-17(10-16-4-3-5-19(16)21)29(36)34-14-24-33-8-9-39-24;1-16(2)25-26(22-13-18(12-17-6-5-7-20(17)22)29(35)34-10-3-4-11-34)28(30(36)37)33-27(25)23-14-19(31)15-24-21(23)8-9-32-24;1-15(2)25-26(22-11-18(10-17-4-3-5-20(17)22)29(35)33-14-16-6-7-16)28(30(36)37)34-27(25)23-12-19(31)13-24-21(23)8-9-32-24;1-14(2)23-24(20-13-17(35-28-31-8-9-36-28)10-15-4-3-5-18(15)20)26(27(33)34)32-25(23)21-11-16(29)12-22-19(21)6-7-30-22/h3,5-13,15,32,35H,4,14H2,1-2H3,(H,34,36)(H,37,38);5,7-9,12-16,32-33H,3-4,6,10-11H2,1-2H3,(H,36,37);3,5,8-13,15-16,32,34H,4,6-7,14H2,1-2H3,(H,33,35)(H,36,37);3,5-14,30,32H,4H2,1-2H3,(H,33,34)
InChIKeyJZXGVIJRGFXRSZ-UHFFFAOYSA-N
XLogP27.45
TPSA389.04 Ų
H-Bond Donors14
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002035.33
LogP ≤ 527.45
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1012

Analyze 3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid (CID 165013174) is 3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid is CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(C(=O)N2CCCC2)cc2c1C=CC2.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(C(=O)NCC2CC2)cc2c1C=CC2.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(C(=O)NCc2nccs2)cc2c1C=CC2.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(Oc2nccs2)cc2c1C=CC2.
What is the InChIKey of 3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is JZXGVIJRGFXRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O3S.2C30H28FN3O3.C28H22FN3O3S/c1-15(2)25-26(28(30(37)38)35-27(25)22-12-18(31)13-23-20(22)6-7-32-23)21-11-17(10-16-4-3-5-19(16)21)29(36)34-14-24-33-8-9-39-24;1-16(2)25-26(22-13-18(12-17-6-5-7-20(17)22)29(35)34-10-3-4-11-34)28(30(36)37)33-27(25)23-14-19(31)15-24-21(23)8-9-32-24;1-15(2)25-26(22-11-18(10-17-4-3-5-20(17)22)29(35)33-14-16-6-7-16)28(30(36)37)34-27(25)23-12-19(31)13-24-21(23)8-9-32-24;1-14(2)23-24(20-13-17(35-28-31-8-9-36-28)10-15-4-3-5-18(15)20)26(27(33)34)32-25(23)21-11-16(29)12-22-19(21)6-7-30-22/h3,5-13,15,32,35H,4,14H2,1-2H3,(H,34,36)(H,37,38);5,7-9,12-16,32-33H,3-4,6,10-11H2,1-2H3,(H,36,37);3,5,8-13,15-16,32,34H,4,6-7,14H2,1-2H3,(H,33,35)(H,36,37);3,5-14,30,32H,4H2,1-2H3,(H,33,34).
What are the key properties of 3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid?
3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 2035.33 g/mol, XLogP of 27.45, 25 rotatable bonds, 14 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 165013174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).