benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea

C101H114F4N16O8 — CID 160678242

About benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea

benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea (PubChem CID 160678242) has the molecular formula C101H114F4N16O8 and a molecular weight of 1756.12 g/mol. Its IUPAC name is benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea.

Molecular Properties

• Compound Name: benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea
• PubChem CID: 160678242
• Molecular Formula: C101H114F4N16O8
• Molecular Weight: 1756.12 g/mol
• Exact Mass: 1754.89
• IUPAC Name: benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea
• SMILES: COCC(C)(C)c1c(CCCN)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(CCCNC(=O)OCc2ccccc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(CCCNC(N)=O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCCc1c(C(C)(C)COC)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12
• InChI: InChI=1S/C31H33FN4O3.C24H28FN5O2.C23H27FN4O.C23H26FN3O2/c1-31(2,20-38-3)29-25(10-7-15-33-30(37)39-19-21-8-5-4-6-9-21)26-17-27-22(18-34-35-27)16-28(26)36(29)24-13-11-23(32)12-14-24;1-24(2,14-32-3)22-18(5-4-10-27-23(26)31)19-12-20-15(13-28-29-20)11-21(19)30(22)17-8-6-16(25)7-9-17;1-23(2,14-29-3)22-18(5-4-10-25)19-12-20-15(13-26-27-20)11-21(19)28(22)17-8-6-16(24)7-9-17;1-23(2,14-29-4)22-18(9-10-28-3)19-12-20-15(13-25-26-20)11-21(19)27(22)17-7-5-16(24)6-8-17/h4-6,8-9,11-14,16-18H,7,10,15,19-20H2,1-3H3,(H,33,37)(H,34,35);6-9,11-13H,4-5,10,14H2,1-3H3,(H,28,29)(H3,26,27,31);6-9,11-13H,4-5,10,14,25H2,1-3H3,(H,26,27);5-8,11-13H,9-10,14H2,1-4H3,(H,25,26)
• InChIKey: RNUMMNTZDHEFNI-UHFFFAOYSA-N
• XLogP: 19.82
• TPSA: 300.06 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 32
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1756.12
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea?

The IUPAC name of benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea (CID 160678242) is benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea.

What is the SMILES notation for benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea?

The canonical SMILES for benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea is COCC(C)(C)c1c(CCCN)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(CCCNC(=O)OCc2ccccc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(CCCNC(N)=O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCCc1c(C(C)(C)COC)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.

What is the InChIKey of benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea?

The InChIKey is RNUMMNTZDHEFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN4O3.C24H28FN5O2.C23H27FN4O.C23H26FN3O2/c1-31(2,20-38-3)29-25(10-7-15-33-30(37)39-19-21-8-5-4-6-9-21)26-17-27-22(18-34-35-27)16-28(26)36(29)24-13-11-23(32)12-14-24;1-24(2,14-32-3)22-18(5-4-10-27-23(26)31)19-12-20-15(13-28-29-20)11-21(19)30(22)17-8-6-16(25)7-9-17;1-23(2,14-29-3)22-18(5-4-10-25)19-12-20-15(13-26-27-20)11-21(19)28(22)17-8-6-16(24)7-9-17;1-23(2,14-29-4)22-18(9-10-28-3)19-12-20-15(13-25-26-20)11-21(19)27(22)17-7-5-16(24)6-8-17/h4-6,8-9,11-14,16-18H,7,10,15,19-20H2,1-3H3,(H,33,37)(H,34,35);6-9,11-13H,4-5,10,14H2,1-3H3,(H,28,29)(H3,26,27,31);6-9,11-13H,4-5,10,14,25H2,1-3H3,(H,26,27);5-8,11-13H,9-10,14H2,1-4H3,(H,25,26).

What are the key properties of benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea?

benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea has a molecular weight of 1756.12 g/mol, XLogP of 19.82, 32 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]carbamate;5-(4-fluorophenyl)-7-(2-methoxyethyl)-6-(1-methoxy-2-methylpropan-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]propan-1-amine;3-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propylurea is sourced from PubChem (CID 160678242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).