7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid

C97H102F4N12O9 — CID 162082806

IUPAC7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
SMILESCC(C)c1c(C2CCC2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(C2CC(C)(C(=O)O)C2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(CC2CC(C(=O)O)C2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(CCC(=O)O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/2C26H28FN3O3.C23H24FN3O3.C22H22FN3/c1-25(2,14-33-4)23-22(16-11-26(3,12-16)24(31)32)19-10-20-15(13-28-29-20)9-21(19)30(23)18-7-5-17(27)6-8-18;1-26(2,14-33-3)24-21(10-15-8-16(9-15)25(31)32)20-12-22-17(13-28-29-22)11-23(20)30(24)19-6-4-18(27)5-7-19;1-23(2,13-30-3)22-17(8-9-21(28)29)18-11-19-14(12-25-26-19)10-20(18)27(22)16-6-4-15(24)5-7-16;1-13(2)22-21(14-4-3-5-14)18-11-19-15(12-24-25-19)10-20(18)26(22)17-8-6-16(23)7-9-17/h5-10,13,16H,11-12,14H2,1-4H3,(H,28,29)(H,31,32);4-7,11-13,15-16H,8-10,14H2,1-3H3,(H,28,29)(H,31,32);4-7,10-12H,8-9,13H2,1-3H3,(H,25,26)(H,28,29);6-14H,3-5H2,1-2H3,(H,24,25)
InChIKeyZCOGEJIHBTUQPX-UHFFFAOYSA-N
MW1655.95 g/mol
LogP21.39
Rot. Bonds23

About 7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid

7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid (PubChem CID 162082806) has the molecular formula C97H102F4N12O9 and a molecular weight of 1655.95 g/mol. Its IUPAC name is 7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid.

Molecular Properties

Compound Name7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
PubChem CID162082806
Molecular FormulaC97H102F4N12O9
Molecular Weight1655.95 g/mol
Exact Mass1654.78
IUPAC Name7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
SMILESCC(C)c1c(C2CCC2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(C2CC(C)(C(=O)O)C2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(CC2CC(C(=O)O)C2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(CCC(=O)O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/2C26H28FN3O3.C23H24FN3O3.C22H22FN3/c1-25(2,14-33-4)23-22(16-11-26(3,12-16)24(31)32)19-10-20-15(13-28-29-20)9-21(19)30(23)18-7-5-17(27)6-8-18;1-26(2,14-33-3)24-21(10-15-8-16(9-15)25(31)32)20-12-22-17(13-28-29-22)11-23(20)30(24)19-6-4-18(27)5-7-19;1-23(2,13-30-3)22-17(8-9-21(28)29)18-11-19-14(12-25-26-19)10-20(18)27(22)16-6-4-15(24)5-7-16;1-13(2)22-21(14-4-3-5-14)18-11-19-15(12-24-25-19)10-20(18)26(22)17-8-6-16(23)7-9-17/h5-10,13,16H,11-12,14H2,1-4H3,(H,28,29)(H,31,32);4-7,11-13,15-16H,8-10,14H2,1-3H3,(H,28,29)(H,31,32);4-7,10-12H,8-9,13H2,1-3H3,(H,25,26)(H,28,29);6-14H,3-5H2,1-2H3,(H,24,25)
InChIKeyZCOGEJIHBTUQPX-UHFFFAOYSA-N
XLogP21.39
TPSA274.03 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001655.95
LogP ≤ 521.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid?
The IUPAC name of 7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid (CID 162082806) is 7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid.
What is the SMILES notation for 7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid?
The canonical SMILES for 7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid is CC(C)c1c(C2CCC2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(C2CC(C)(C(=O)O)C2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(CC2CC(C(=O)O)C2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(CCC(=O)O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.
What is the InChIKey of 7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid?
The InChIKey is ZCOGEJIHBTUQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28FN3O3.C23H24FN3O3.C22H22FN3/c1-25(2,14-33-4)23-22(16-11-26(3,12-16)24(31)32)19-10-20-15(13-28-29-20)9-21(19)30(23)18-7-5-17(27)6-8-18;1-26(2,14-33-3)24-21(10-15-8-16(9-15)25(31)32)20-12-22-17(13-28-29-22)11-23(20)30(24)19-6-4-18(27)5-7-19;1-23(2,13-30-3)22-17(8-9-21(28)29)18-11-19-14(12-25-26-19)10-20(18)27(22)16-6-4-15(24)5-7-16;1-13(2)22-21(14-4-3-5-14)18-11-19-15(12-24-25-19)10-20(18)26(22)17-8-6-16(23)7-9-17/h5-10,13,16H,11-12,14H2,1-4H3,(H,28,29)(H,31,32);4-7,11-13,15-16H,8-10,14H2,1-3H3,(H,28,29)(H,31,32);4-7,10-12H,8-9,13H2,1-3H3,(H,25,26)(H,28,29);6-14H,3-5H2,1-2H3,(H,24,25).
What are the key properties of 7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid?
7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid has a molecular weight of 1655.95 g/mol, XLogP of 21.39, 23 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;3-[[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid is sourced from PubChem (CID 162082806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).