1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole

C88H80F6N10O6 — CID 158215353

IUPAC1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole
SMILESCOCCOc1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cn1.Fc1ccc(-n2c(C3CCOCC3)c(-c3ccc(CCC(F)(F)F)nc3)c3cc4c(cc32)C=NC4)cc1.O=C1CCCN1c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cn1
InChIInChI=1S/C30H27FN4O2.C29H25F4N3O.C29H28FN3O3/c31-23-4-6-24(7-5-23)35-26-15-22-17-32-16-21(22)14-25(26)29(30(35)19-9-12-37-13-10-19)20-3-8-27(33-18-20)34-11-1-2-28(34)36;30-22-2-5-24(6-3-22)36-26-14-21-16-34-15-20(21)13-25(26)27(28(36)18-8-11-37-12-9-18)19-1-4-23(35-17-19)7-10-29(31,32)33;1-34-12-13-36-27-7-2-20(18-32-27)28-25-14-21-16-31-17-22(21)15-26(25)33(24-5-3-23(30)4-6-24)29(28)19-8-10-35-11-9-19/h3-8,14-15,17-19H,1-2,9-13,16H2;1-6,13-14,16-18H,7-12,15H2;2-7,14-15,17-19H,8-13,16H2,1H3
InChIKeyGCOSOWLTBLMRIM-UHFFFAOYSA-N
MW1487.66 g/mol
LogP18.62
Rot. Bonds16

About 1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole

1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole (PubChem CID 158215353) has the molecular formula C88H80F6N10O6 and a molecular weight of 1487.66 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole
PubChem CID158215353
Molecular FormulaC88H80F6N10O6
Molecular Weight1487.66 g/mol
Exact Mass1486.62
IUPAC Name1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole
SMILESCOCCOc1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cn1.Fc1ccc(-n2c(C3CCOCC3)c(-c3ccc(CCC(F)(F)F)nc3)c3cc4c(cc32)C=NC4)cc1.O=C1CCCN1c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cn1
InChIInChI=1S/C30H27FN4O2.C29H25F4N3O.C29H28FN3O3/c31-23-4-6-24(7-5-23)35-26-15-22-17-32-16-21(22)14-25(26)29(30(35)19-9-12-37-13-10-19)20-3-8-27(33-18-20)34-11-1-2-28(34)36;30-22-2-5-24(6-3-22)36-26-14-21-16-34-15-20(21)13-25(26)27(28(36)18-8-11-37-12-9-18)19-1-4-23(35-17-19)7-10-29(31,32)33;1-34-12-13-36-27-7-2-20(18-32-27)28-25-14-21-16-31-17-22(21)15-26(25)33(24-5-3-23(30)4-6-24)29(28)19-8-10-35-11-9-19/h3-8,14-15,17-19H,1-2,9-13,16H2;1-6,13-14,16-18H,7-12,15H2;2-7,14-15,17-19H,8-13,16H2,1H3
InChIKeyGCOSOWLTBLMRIM-UHFFFAOYSA-N
XLogP18.62
TPSA157.00 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001487.66
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole with MolForge

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Related Compounds

1-[5-[5-amino-1-(4-fluorophenyl)-6-methanimidoyl-2-(oxan-4-yl)indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;ethane
CID 155734438
1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole
CID 158446265
4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]-3-(2-methoxyethoxy)benzoic acid
CID 157053209
4-[2-(1-cyano-2-methylpropan-2-yl)-1-(2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;4-[1-(4-fluorophenyl)-2-(4-hydroxyoxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;[4-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]-methylphosphinic acid
CID 161379250
CID 155734743
CID 155734743
4-[5-fluoro-3-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)indol-1-yl]benzoic acid
CID 168755170
4-[1-(4-fluorophenyl)-2-(2-hydroxy-1-methoxybutan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid
CID 159142490
5-(4-fluorophenyl)-3-methyl-7-(6-methylsulfonyl-3-pyridinyl)-6-(oxan-4-yl)-2H-pyrrolo[2,3-f]indazole
CID 155318124
1-[7-(6-chloro-3-pyridinyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one
CID 155285122
5-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyridine-2-carboxylic acid
CID 158152956
(2S,3S,4S,5R)-6-[7-(4-carboxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 155318290
4-[2-[1-(difluoromethoxy)-2-methylpropan-2-yl]-1-(4-fluorophenyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid
CID 157357377

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole?
The IUPAC name of 1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole (CID 158215353) is 1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole?
The canonical SMILES for 1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole is COCCOc1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cn1.Fc1ccc(-n2c(C3CCOCC3)c(-c3ccc(CCC(F)(F)F)nc3)c3cc4c(cc32)C=NC4)cc1.O=C1CCCN1c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole?
The InChIKey is GCOSOWLTBLMRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O2.C29H25F4N3O.C29H28FN3O3/c31-23-4-6-24(7-5-23)35-26-15-22-17-32-16-21(22)14-25(26)29(30(35)19-9-12-37-13-10-19)20-3-8-27(33-18-20)34-11-1-2-28(34)36;30-22-2-5-24(6-3-22)36-26-14-21-16-34-15-20(21)13-25(26)27(28(36)18-8-11-37-12-9-18)19-1-4-23(35-17-19)7-10-29(31,32)33;1-34-12-13-36-27-7-2-20(18-32-27)28-25-14-21-16-31-17-22(21)15-26(25)33(24-5-3-23(30)4-6-24)29(28)19-8-10-35-11-9-19/h3-8,14-15,17-19H,1-2,9-13,16H2;1-6,13-14,16-18H,7-12,15H2;2-7,14-15,17-19H,8-13,16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole?
1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole has a molecular weight of 1487.66 g/mol, XLogP of 18.62, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;1-[5-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-2-pyridinyl]pyrrolidin-2-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-3-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-5H-pyrrolo[3,4-f]indole is sourced from PubChem (CID 158215353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).