15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide

C109H107F3N16O13 — CID 158526175

About 15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide

15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide (PubChem CID 158526175) has the molecular formula C109H107F3N16O13 and a molecular weight of 1906.15 g/mol. Its IUPAC name is 15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide.

Molecular Properties

• Compound Name: 15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide
• PubChem CID: 158526175
• Molecular Formula: C109H107F3N16O13
• Molecular Weight: 1906.15 g/mol
• Exact Mass: 1904.82
• IUPAC Name: 15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide
• SMILES: CN1CCCC1CCNC(=O)c1cn2c3c(c(NCCc4c[nH]c5ccccc45)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.CN1CCCC1CCNC(=O)c1cn2c3cc4oc5cc([N+](=O)[O-])ccc5[nH]c4cc3oc3c(NCCC4CCCN4C)c(F)cc(c1=O)c32.COc1ccc(CCNc2c(F)cc3c(=O)c(C(=O)NCCC4CCCN4C)cn4c3c2Oc2cc3ccccc3cc2-4)cc1
• InChI: InChI=1S/C37H34FN5O3.C36H38FN7O6.C36H35FN4O4/c1-42-16-6-9-25(42)13-15-40-37(45)28-21-43-31-17-22-7-2-3-8-23(22)18-32(31)46-36-33(29(38)19-27(34(36)43)35(28)44)39-14-12-24-20-41-30-11-5-4-10-26(24)30;1-41-13-3-5-20(41)9-11-38-32-25(37)16-23-33-35(32)50-31-17-27-30(49-29-15-22(44(47)48)7-8-26(29)40-27)18-28(31)43(33)19-24(34(23)45)36(46)39-12-10-21-6-4-14-42(21)2;1-40-17-5-8-25(40)14-16-39-36(43)28-21-41-30-18-23-6-3-4-7-24(23)19-31(30)45-35-32(29(37)20-27(33(35)41)34(28)42)38-15-13-22-9-11-26(44-2)12-10-22/h2-5,7-8,10-11,17-21,25,39,41H,6,9,12-16H2,1H3,(H,40,45);7-8,15-21,38,40H,3-6,9-14H2,1-2H3,(H,39,46);3-4,6-7,9-12,18-21,25,38H,5,8,13-17H2,1-2H3,(H,39,43)
• InChIKey: HMURUSQWLJRYTG-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 330.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1906.15
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide?

The IUPAC name of 15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide (CID 158526175) is 15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide.

What is the SMILES notation for 15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide?

The canonical SMILES for 15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide is CN1CCCC1CCNC(=O)c1cn2c3c(c(NCCc4c[nH]c5ccccc45)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.CN1CCCC1CCNC(=O)c1cn2c3cc4oc5cc([N+](=O)[O-])ccc5[nH]c4cc3oc3c(NCCC4CCCN4C)c(F)cc(c1=O)c32.COc1ccc(CCNc2c(F)cc3c(=O)c(C(=O)NCCC4CCCN4C)cn4c3c2Oc2cc3ccccc3cc2-4)cc1.

What is the InChIKey of 15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide?

The InChIKey is HMURUSQWLJRYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34FN5O3.C36H38FN7O6.C36H35FN4O4/c1-42-16-6-9-25(42)13-15-40-37(45)28-21-43-31-17-22-7-2-3-8-23(22)18-32(31)46-36-33(29(38)19-27(34(36)43)35(28)44)39-14-12-24-20-41-30-11-5-4-10-26(24)30;1-41-13-3-5-20(41)9-11-38-32-25(37)16-23-33-35(32)50-31-17-27-30(49-29-15-22(44(47)48)7-8-26(29)40-27)18-28(31)43(33)19-24(34(23)45)36(46)39-12-10-21-6-4-14-42(21)2;1-40-17-5-8-25(40)14-16-39-36(43)28-21-41-30-18-23-6-3-4-7-24(23)19-31(30)45-35-32(29(37)20-27(33(35)41)34(28)42)38-15-13-22-9-11-26(44-2)12-10-22/h2-5,7-8,10-11,17-21,25,39,41H,6,9,12-16H2,1H3,(H,40,45);7-8,15-21,38,40H,3-6,9-14H2,1-2H3,(H,39,46);3-4,6-7,9-12,18-21,25,38H,5,8,13-17H2,1-2H3,(H,39,43).

What are the key properties of 15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide?

15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide has a molecular weight of 1906.15 g/mol, XLogP of 19.15, 26 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(4-methoxyphenyl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide is sourced from PubChem (CID 158526175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).