N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine

C112H107F13N16 — CID 167631200

About N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine

N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine (PubChem CID 167631200) has the molecular formula C112H107F13N16 and a molecular weight of 1924.17 g/mol. Its IUPAC name is N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

• Compound Name: N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine
• PubChem CID: 167631200
• Molecular Formula: C112H107F13N16
• Molecular Weight: 1924.17 g/mol
• Exact Mass: 1922.87
• IUPAC Name: N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine
• SMILES: Cc1ccccc1-c1c(F)c2c3c(F)[nH]nc3ccc2n1Cc1ccc(CCNCCCF)cc1.Cc1ccccc1-c1c(F)c2c3cn[nH]c3ccc2n1Cc1c(F)cc(CCNCCCF)cc1F.Cc1ccccc1-c1c(F)c2c3cn[nH]c3ccc2n1Cc1ccc(CCNCCCF)cc1F.Cc1ccccc1-c1cc2c3c(F)[nH]nc3ccc2n1Cc1ccc(CCNCCCF)cc1F
• InChI: InChI=1S/C28H26F4N4.3C28H27F3N4/c1-17-5-2-3-6-19(17)28-27(32)26-20-15-34-35-24(20)7-8-25(26)36(28)16-21-22(30)13-18(14-23(21)31)9-12-33-11-4-10-29;1-18-5-2-3-6-21(18)27-26(30)25-23(12-11-22-24(25)28(31)34-33-22)35(27)17-20-9-7-19(8-10-20)13-16-32-15-4-14-29;1-18-5-2-3-6-21(18)26-16-22-25(10-9-24-27(22)28(31)34-33-24)35(26)17-20-8-7-19(15-23(20)30)11-14-32-13-4-12-29;1-18-5-2-3-6-21(18)28-27(31)26-22-16-33-34-24(22)9-10-25(26)35(28)17-20-8-7-19(15-23(20)30)11-14-32-13-4-12-29/h2-3,5-8,13-15,33H,4,9-12,16H2,1H3,(H,34,35);2-3,5-12,32H,4,13-17H2,1H3,(H,33,34);2*2-3,5-10,15-16,32H,4,11-14,17H2,1H3,(H,33,34)
• InChIKey: NVDGVWXWPAJEDB-UHFFFAOYSA-N
• XLogP: 25.38
• TPSA: 182.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 36
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1924.17
LogP ≤ 5	25.38
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine?

The IUPAC name of N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine (CID 167631200) is N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine.

What is the SMILES notation for N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine?

The canonical SMILES for N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine is Cc1ccccc1-c1c(F)c2c3c(F)[nH]nc3ccc2n1Cc1ccc(CCNCCCF)cc1.Cc1ccccc1-c1c(F)c2c3cn[nH]c3ccc2n1Cc1c(F)cc(CCNCCCF)cc1F.Cc1ccccc1-c1c(F)c2c3cn[nH]c3ccc2n1Cc1ccc(CCNCCCF)cc1F.Cc1ccccc1-c1cc2c3c(F)[nH]nc3ccc2n1Cc1ccc(CCNCCCF)cc1F.

What is the InChIKey of N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine?

The InChIKey is NVDGVWXWPAJEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4N4.3C28H27F3N4/c1-17-5-2-3-6-19(17)28-27(32)26-20-15-34-35-24(20)7-8-25(26)36(28)16-21-22(30)13-18(14-23(21)31)9-12-33-11-4-10-29;1-18-5-2-3-6-21(18)27-26(30)25-23(12-11-22-24(25)28(31)34-33-22)35(27)17-20-9-7-19(8-10-20)13-16-32-15-4-14-29;1-18-5-2-3-6-21(18)26-16-22-25(10-9-24-27(22)28(31)34-33-24)35(26)17-20-8-7-19(15-23(20)30)11-14-32-13-4-12-29;1-18-5-2-3-6-21(18)28-27(31)26-22-16-33-34-24(22)9-10-25(26)35(28)17-20-8-7-19(15-23(20)30)11-14-32-13-4-12-29/h2-3,5-8,13-15,33H,4,9-12,16H2,1H3,(H,34,35);2-3,5-12,32H,4,13-17H2,1H3,(H,33,34);2*2-3,5-10,15-16,32H,4,11-14,17H2,1H3,(H,33,34).

What are the key properties of N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine?

N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine has a molecular weight of 1924.17 g/mol, XLogP of 25.38, 36 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3,5-difluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;N-[2-[4-[[1,8-difluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 167631200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).