ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid

C94H94F4N12O8 — CID 157140120

IUPACethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
SMILESCCOC(=O)C1CC1c1c(C(C)C)n(-c2ccc(F)c(C)c2)c2cc3cn[nH]c3cc12.Cc1cc(-n2c(C(C)C)c(C3CC3C(=O)O)c3cc4[nH]ncc4cc32)ccc1F.Cc1cc(-n2c(C(C)C)c(CC3(C(=O)O)CC3)c3cc4[nH]ncc4cc32)ccc1F.Cc1cc(-n2c(C(C)C)c(CCC(=O)O)c3cc4[nH]ncc4cc32)ccc1F
InChIInChI=1S/C25H26FN3O2.C24H24FN3O2.C23H22FN3O2.C22H22FN3O2/c1-5-31-25(30)18-10-17(18)23-19-11-21-15(12-27-28-21)9-22(19)29(24(23)13(2)3)16-6-7-20(26)14(4)8-16;1-13(2)22-18(11-24(6-7-24)23(29)30)17-10-20-15(12-26-27-20)9-21(17)28(22)16-4-5-19(25)14(3)8-16;1-11(2)22-21(15-8-16(15)23(28)29)17-9-19-13(10-25-26-19)7-20(17)27(22)14-4-5-18(24)12(3)6-14;1-12(2)22-16(5-7-21(27)28)17-10-19-14(11-24-25-19)9-20(17)26(22)15-4-6-18(23)13(3)8-15/h6-9,11-13,17-18H,5,10H2,1-4H3,(H,27,28);4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,26,27)(H,29,30);4-7,9-11,15-16H,8H2,1-3H3,(H,25,26)(H,28,29);4,6,8-12H,5,7H2,1-3H3,(H,24,25)(H,27,28)
InChIKeyAKCBLCVVOPFOAI-UHFFFAOYSA-N
MW1595.85 g/mol
LogP21.59
Rot. Bonds19

About ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid

ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid (PubChem CID 157140120) has the molecular formula C94H94F4N12O8 and a molecular weight of 1595.85 g/mol. Its IUPAC name is ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid.

Molecular Properties

Compound Nameethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
PubChem CID157140120
Molecular FormulaC94H94F4N12O8
Molecular Weight1595.85 g/mol
Exact Mass1594.73
IUPAC Nameethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
SMILESCCOC(=O)C1CC1c1c(C(C)C)n(-c2ccc(F)c(C)c2)c2cc3cn[nH]c3cc12.Cc1cc(-n2c(C(C)C)c(C3CC3C(=O)O)c3cc4[nH]ncc4cc32)ccc1F.Cc1cc(-n2c(C(C)C)c(CC3(C(=O)O)CC3)c3cc4[nH]ncc4cc32)ccc1F.Cc1cc(-n2c(C(C)C)c(CCC(=O)O)c3cc4[nH]ncc4cc32)ccc1F
InChIInChI=1S/C25H26FN3O2.C24H24FN3O2.C23H22FN3O2.C22H22FN3O2/c1-5-31-25(30)18-10-17(18)23-19-11-21-15(12-27-28-21)9-22(19)29(24(23)13(2)3)16-6-7-20(26)14(4)8-16;1-13(2)22-18(11-24(6-7-24)23(29)30)17-10-20-15(12-26-27-20)9-21(17)28(22)16-4-5-19(25)14(3)8-16;1-11(2)22-21(15-8-16(15)23(28)29)17-9-19-13(10-25-26-19)7-20(17)27(22)14-4-5-18(24)12(3)6-14;1-12(2)22-16(5-7-21(27)28)17-10-19-14(11-24-25-19)9-20(17)26(22)15-4-6-18(23)13(3)8-15/h6-9,11-13,17-18H,5,10H2,1-4H3,(H,27,28);4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,26,27)(H,29,30);4-7,9-11,15-16H,8H2,1-3H3,(H,25,26)(H,28,29);4,6,8-12H,5,7H2,1-3H3,(H,24,25)(H,27,28)
InChIKeyAKCBLCVVOPFOAI-UHFFFAOYSA-N
XLogP21.59
TPSA272.64 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001595.85
LogP ≤ 521.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid with MolForge

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Related Compounds

3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
CID 146486204
3-[8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
CID 146486212
3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
CID 146486289
3-[5-(3,4-difluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
CID 146486293
3-[8-fluoro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
CID 146486295
1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid
CID 146486317
2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid
CID 146486345
1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid
CID 146486349
methyl 3-[5-(3,4-difluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoate
CID 146486352
4-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]cyclohexane-1-carboxylic acid
CID 146486367
3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]butanoic acid
CID 146521854
4-[5-(4-fluoro-3-methylphenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]cyclohexane-1-carboxylic acid
CID 146521986

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid?
The IUPAC name of ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid (CID 157140120) is ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid.
What is the SMILES notation for ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid?
The canonical SMILES for ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid is CCOC(=O)C1CC1c1c(C(C)C)n(-c2ccc(F)c(C)c2)c2cc3cn[nH]c3cc12.Cc1cc(-n2c(C(C)C)c(C3CC3C(=O)O)c3cc4[nH]ncc4cc32)ccc1F.Cc1cc(-n2c(C(C)C)c(CC3(C(=O)O)CC3)c3cc4[nH]ncc4cc32)ccc1F.Cc1cc(-n2c(C(C)C)c(CCC(=O)O)c3cc4[nH]ncc4cc32)ccc1F.
What is the InChIKey of ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid?
The InChIKey is AKCBLCVVOPFOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2.C24H24FN3O2.C23H22FN3O2.C22H22FN3O2/c1-5-31-25(30)18-10-17(18)23-19-11-21-15(12-27-28-21)9-22(19)29(24(23)13(2)3)16-6-7-20(26)14(4)8-16;1-13(2)22-18(11-24(6-7-24)23(29)30)17-10-20-15(12-26-27-20)9-21(17)28(22)16-4-5-19(25)14(3)8-16;1-11(2)22-21(15-8-16(15)23(28)29)17-9-19-13(10-25-26-19)7-20(17)27(22)14-4-5-18(24)12(3)6-14;1-12(2)22-16(5-7-21(27)28)17-10-19-14(11-24-25-19)9-20(17)26(22)15-4-6-18(23)13(3)8-15/h6-9,11-13,17-18H,5,10H2,1-4H3,(H,27,28);4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,26,27)(H,29,30);4-7,9-11,15-16H,8H2,1-3H3,(H,25,26)(H,28,29);4,6,8-12H,5,7H2,1-3H3,(H,24,25)(H,27,28).
What are the key properties of ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid?
ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid has a molecular weight of 1595.85 g/mol, XLogP of 21.59, 19 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylate;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid;1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid is sourced from PubChem (CID 157140120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).