5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid

C77H80F3N15O8S — CID 158008540

IUPAC5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOCC(C)(C)c1c(-c2cnn(C(C)(C)C(=O)O)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2cnn(CCO)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2cnn(CS(C)(=O)=O)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C27H28FN5O3.C25H26FN5O3S.C25H26FN5O2/c1-26(2,15-36-5)24-23(17-13-30-32(14-17)27(3,4)25(34)35)20-11-21-16(12-29-31-21)10-22(20)33(24)19-8-6-18(28)7-9-19;1-25(2,14-34-3)24-23(17-12-28-30(13-17)15-35(4,32)33)20-10-21-16(11-27-29-21)9-22(20)31(24)19-7-5-18(26)6-8-19;1-25(2,15-33-3)24-23(17-13-28-30(14-17)8-9-32)20-11-21-16(12-27-29-21)10-22(20)31(24)19-6-4-18(26)5-7-19/h6-14H,15H2,1-5H3,(H,29,31)(H,34,35);5-13H,14-15H2,1-4H3,(H,27,29);4-7,10-14,32H,8-9,15H2,1-3H3,(H,27,29)
InChIKeyFEPGYZOBBUKWOB-UHFFFAOYSA-N
MW1432.64 g/mol
LogP14.11
Rot. Bonds21

About 5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid

5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 158008540) has the molecular formula C77H80F3N15O8S and a molecular weight of 1432.64 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID158008540
Molecular FormulaC77H80F3N15O8S
Molecular Weight1432.64 g/mol
Exact Mass1431.60
IUPAC Name5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOCC(C)(C)c1c(-c2cnn(C(C)(C)C(=O)O)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2cnn(CCO)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2cnn(CS(C)(=O)=O)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C27H28FN5O3.C25H26FN5O3S.C25H26FN5O2/c1-26(2,15-36-5)24-23(17-13-30-32(14-17)27(3,4)25(34)35)20-11-21-16(12-29-31-21)10-22(20)33(24)19-8-6-18(28)7-9-19;1-25(2,14-34-3)24-23(17-12-28-30(13-17)15-35(4,32)33)20-10-21-16(11-27-29-21)9-22(20)31(24)19-7-5-18(26)6-8-19;1-25(2,15-33-3)24-23(17-13-28-30(14-17)8-9-32)20-11-21-16(12-27-29-21)10-22(20)31(24)19-6-4-18(26)5-7-19/h6-14H,15H2,1-5H3,(H,29,31)(H,34,35);5-13H,14-15H2,1-4H3,(H,27,29);4-7,10-14,32H,8-9,15H2,1-3H3,(H,27,29)
InChIKeyFEPGYZOBBUKWOB-UHFFFAOYSA-N
XLogP14.11
TPSA273.65 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001432.64
LogP ≤ 514.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid (CID 158008540) is 5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid is COCC(C)(C)c1c(-c2cnn(C(C)(C)C(=O)O)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2cnn(CCO)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2cnn(CS(C)(=O)=O)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is FEPGYZOBBUKWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3.C25H26FN5O3S.C25H26FN5O2/c1-26(2,15-36-5)24-23(17-13-30-32(14-17)27(3,4)25(34)35)20-11-21-16(12-29-31-21)10-22(20)33(24)19-8-6-18(28)7-9-19;1-25(2,14-34-3)24-23(17-12-28-30(13-17)15-35(4,32)33)20-10-21-16(11-27-29-21)9-22(20)31(24)19-7-5-18(26)6-8-19;1-25(2,15-33-3)24-23(17-13-28-30(14-17)8-9-32)20-11-21-16(12-27-29-21)10-22(20)31(24)19-6-4-18(26)5-7-19/h6-14H,15H2,1-5H3,(H,29,31)(H,34,35);5-13H,14-15H2,1-4H3,(H,27,29);4-7,10-14,32H,8-9,15H2,1-3H3,(H,27,29).
What are the key properties of 5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid?
5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 1432.64 g/mol, XLogP of 14.11, 21 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-f]indazole;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]ethanol;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 158008540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).