3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide

C35H34FN5O4 — CID 71096254

About 3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide

3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide (PubChem CID 71096254) has the molecular formula C35H34FN5O4 and a molecular weight of 607.69 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide
• PubChem CID: 71096254
• Molecular Formula: C35H34FN5O4
• Molecular Weight: 607.69 g/mol
• Exact Mass: 607.26
• IUPAC Name: 3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide
• SMILES: O=C(CCC1CNc2ccccc21)NC1CCN(c2c(F)cc3c(=O)c(C(=O)N4CCCC4)cn4c3c2Oc2ccccc2-4)C1
• InChI: InChI=1S/C35H34FN5O4/c36-26-17-24-31-34(45-29-10-4-3-9-28(29)41(31)20-25(33(24)43)35(44)39-14-5-6-15-39)32(26)40-16-13-22(19-40)38-30(42)12-11-21-18-37-27-8-2-1-7-23(21)27/h1-4,7-10,17,20-22,37H,5-6,11-16,18-19H2,(H,38,42)
• InChIKey: BXBCOJSSWBJEFR-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.69
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide?

The IUPAC name of 3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide (CID 71096254) is 3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide.

What is the SMILES notation for 3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide?

The canonical SMILES for 3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide is O=C(CCC1CNc2ccccc21)NC1CCN(c2c(F)cc3c(=O)c(C(=O)N4CCCC4)cn4c3c2Oc2ccccc2-4)C1.

What is the InChIKey of 3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide?

The InChIKey is BXBCOJSSWBJEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN5O4/c36-26-17-24-31-34(45-29-10-4-3-9-28(29)41(31)20-25(33(24)43)35(44)39-14-5-6-15-39)32(26)40-16-13-22(19-40)38-30(42)12-11-21-18-37-27-8-2-1-7-23(21)27/h1-4,7-10,17,20-22,37H,5-6,11-16,18-19H2,(H,38,42).

What are the key properties of 3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide?

3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide has a molecular weight of 607.69 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 71096254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).