14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide

C168H171F5N26O19 — CID 158872201

About 14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide

14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide (PubChem CID 158872201) has the molecular formula C168H171F5N26O19 and a molecular weight of 2953.37 g/mol. Its IUPAC name is 14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide.

Molecular Properties

• Compound Name: 14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide
• PubChem CID: 158872201
• Molecular Formula: C168H171F5N26O19
• Molecular Weight: 2953.37 g/mol
• Exact Mass: 2951.31
• IUPAC Name: 14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide
• SMILES: CN(C)CCCCNc1c(F)cc2c(=O)c(C(=O)NCCC3CCCN3C)cn3c2c1Oc1cc2c(cc1-3)oc1ccccc12.CN(CCc1ccccn1)C(=O)c1cn2c3c(c(N4CC[C@@H](N)C4)c(F)cc3c1=O)Oc1c-2ccc2ccccc12.CN1CCN(CCCNC(=O)c2cn3c4c(c(NCCC5CCCN5C)c(F)cc4c2=O)Oc2cc4c(cc2-3)oc2ccccc24)CC1.CN1CCN(CCCNC(=O)c2cn3c4c(c(NCCN5CCCC5)c(F)cc4c2=O)Oc2cc4c(cc2-3)oc2ccccc24)CC1.N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)N4CCOCC4)cn4c3c2Oc2c-4ccc3ccccc23)C1
• InChI: InChI=1S/C37H41FN6O4.C36H39FN6O4.C35H38FN5O4.C32H28FN5O3.C28H25FN4O4/c1-41-15-17-43(18-16-41)14-6-11-40-37(46)27-22-44-29-21-31-25(24-8-3-4-9-30(24)47-31)20-32(29)48-36-33(28(38)19-26(34(36)44)35(27)45)39-12-10-23-7-5-13-42(23)2;1-40-15-17-42(18-16-40)13-6-9-39-36(45)26-22-43-28-21-30-24(23-7-2-3-8-29(23)46-30)20-31(28)47-35-32(38-10-14-41-11-4-5-12-41)27(37)19-25(33(35)43)34(26)44;1-39(2)15-7-6-13-37-31-26(36)17-24-32-34(31)45-30-18-23-22-10-4-5-11-28(22)44-29(23)19-27(30)41(32)20-25(33(24)42)35(43)38-14-12-21-9-8-16-40(21)3;1-36(14-12-21-7-4-5-13-35-21)32(40)24-18-38-26-10-9-19-6-2-3-8-22(19)30(26)41-31-27(38)23(29(24)39)16-25(33)28(31)37-15-11-20(34)17-37;29-21-13-19-23-27(24(21)32-8-7-17(30)14-32)37-26-18-4-2-1-3-16(18)5-6-22(26)33(23)15-20(25(19)34)28(35)31-9-11-36-12-10-31/h3-4,8-9,19-23,39H,5-7,10-18H2,1-2H3,(H,40,46);2-3,7-8,19-22,38H,4-6,9-18H2,1H3,(H,39,45);4-5,10-11,17-21,37H,6-9,12-16H2,1-3H3,(H,38,43);2-10,13,16,18,20H,11-12,14-15,17,34H2,1H3;1-6,13,15,17H,7-12,14,30H2/t;;;20-;17-/m...11/s1
• InChIKey: JBZFMFVTKKTWOJ-SZSCPNQSSA-N
• XLogP: 24.55
• TPSA: 466.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 35
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2953.37
LogP ≤ 5	24.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide?

The IUPAC name of 14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide (CID 158872201) is 14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide.

What is the SMILES notation for 14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide?

The canonical SMILES for 14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide is CN(C)CCCCNc1c(F)cc2c(=O)c(C(=O)NCCC3CCCN3C)cn3c2c1Oc1cc2c(cc1-3)oc1ccccc12.CN(CCc1ccccn1)C(=O)c1cn2c3c(c(N4CC[C@@H](N)C4)c(F)cc3c1=O)Oc1c-2ccc2ccccc12.CN1CCN(CCCNC(=O)c2cn3c4c(c(NCCC5CCCN5C)c(F)cc4c2=O)Oc2cc4c(cc2-3)oc2ccccc24)CC1.CN1CCN(CCCNC(=O)c2cn3c4c(c(NCCN5CCCC5)c(F)cc4c2=O)Oc2cc4c(cc2-3)oc2ccccc24)CC1.N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)N4CCOCC4)cn4c3c2Oc2c-4ccc3ccccc23)C1.

What is the InChIKey of 14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide?

The InChIKey is JBZFMFVTKKTWOJ-SZSCPNQSSA-N. The full InChI is InChI=1S/C37H41FN6O4.C36H39FN6O4.C35H38FN5O4.C32H28FN5O3.C28H25FN4O4/c1-41-15-17-43(18-16-41)14-6-11-40-37(46)27-22-44-29-21-31-25(24-8-3-4-9-30(24)47-31)20-32(29)48-36-33(28(38)19-26(34(36)44)35(27)45)39-12-10-23-7-5-13-42(23)2;1-40-15-17-42(18-16-40)13-6-9-39-36(45)26-22-43-28-21-30-24(23-7-2-3-8-29(23)46-30)20-31(28)47-35-32(38-10-14-41-11-4-5-12-41)27(37)19-25(33(35)43)34(26)44;1-39(2)15-7-6-13-37-31-26(36)17-24-32-34(31)45-30-18-23-22-10-4-5-11-28(22)44-29(23)19-27(30)41(32)20-25(33(24)42)35(43)38-14-12-21-9-8-16-40(21)3;1-36(14-12-21-7-4-5-13-35-21)32(40)24-18-38-26-10-9-19-6-2-3-8-22(19)30(26)41-31-27(38)23(29(24)39)16-25(33)28(31)37-15-11-20(34)17-37;29-21-13-19-23-27(24(21)32-8-7-17(30)14-32)37-26-18-4-2-1-3-16(18)5-6-22(26)33(23)15-20(25(19)34)28(35)31-9-11-36-12-10-31/h3-4,8-9,19-23,39H,5-7,10-18H2,1-2H3,(H,40,46);2-3,7-8,19-22,38H,4-6,9-18H2,1H3,(H,39,45);4-5,10-11,17-21,37H,6-9,12-16H2,1-3H3,(H,38,43);2-10,13,16,18,20H,11-12,14-15,17,34H2,1H3;1-6,13,15,17H,7-12,14,30H2/t;;;20-;17-/m...11/s1.

What are the key properties of 14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide?

14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide has a molecular weight of 2953.37 g/mol, XLogP of 24.55, 35 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;14-[(3R)-3-aminopyrrolidin-1-yl]-15-fluoro-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-18-one;17-[4-(dimethylamino)butylamino]-18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-17-(2-pyrrolidin-1-ylethylamino)-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide is sourced from PubChem (CID 158872201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).