9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide

C252H263F6N63O14 — CID 157085395

About 9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide

9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide (PubChem CID 157085395) has the molecular formula C252H263F6N63O14 and a molecular weight of 4512.29 g/mol. Its IUPAC name is 9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide.

Molecular Properties

• Compound Name: 9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide
• PubChem CID: 157085395
• Molecular Formula: C252H263F6N63O14
• Molecular Weight: 4512.29 g/mol
• Exact Mass: 4509.17
• IUPAC Name: 9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide
• SMILES: CC(C)NC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12.CCNC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12.CN(C)[C@@H]1CCN(c2ccnc3c2cc(C#N)c2nc4ccccc4n23)C1.CN1CCCN(c2ccnc3c2cc(C#N)c2nc4cc5c(cc4n23)OCO5)CC1.CNC(=O)c1cc2c(N3CCCN(C)CC3)cc(C)nc2n2c1nc1cc(F)c(F)cc12.CNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1cc3c(cc12)OCO3.CNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1ccc(C)cc12.CNC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12.CNC(=O)c1cc2c(N3C[C@H](C)C[C@H](C)C3)cc(C)nc2n2c1nc1cc(F)c(F)cc12.CNC(=O)c1cc2c(N3C[C@H](C)C[C@H](C)C3)cc(C)nc2n2c1nc1cc3c(cc12)OCO3.C[C@@H]1C[C@H](C)CN(c2ccnc3c2cc(C#N)c2nc4cc(F)c(F)cc4n23)C1
• InChI: InChI=1S/C25H27N5O3.C24H25F2N5O.C24H28N6O.C23H24F2N6O.C23H24N6O3.2C23H26N6O.C22H19F2N5.C22H20N6O2.C22H24N6O.C21H20N6/c1-13-5-14(2)11-29(10-13)19-6-15(3)27-23-16(19)7-17(25(31)26-4)24-28-18-8-21-22(33-12-32-21)9-20(18)30(23)24;1-12-5-13(2)11-30(10-12)20-6-14(3)28-22-15(20)7-16(24(32)27-4)23-29-19-8-17(25)18(26)9-21(19)31(22)23;1-15(2)26-24(31)18-13-17-20(29-12-10-16(14-29)28(3)4)9-11-25-22(17)30-21-8-6-5-7-19(21)27-23(18)30;1-13-9-19(30-6-4-5-29(3)7-8-30)14-10-15(23(32)26-2)22-28-18-11-16(24)17(25)12-20(18)31(22)21(14)27-13;1-24-23(30)15-10-14-17(28-7-3-6-27(2)8-9-28)4-5-25-21(14)29-18-12-20-19(31-13-32-20)11-16(18)26-22(15)29;1-15-5-6-18-20(13-15)29-21-16(14-17(22(29)26-18)23(30)24-2)19(7-8-25-21)28-10-4-9-27(3)11-12-28;1-4-24-23(30)17-13-16-19(28-12-10-15(14-28)27(2)3)9-11-25-21(16)29-20-8-6-5-7-18(20)26-22(17)29;1-12-5-13(2)11-28(10-12)19-3-4-26-22-15(19)6-14(9-25)21-27-18-7-16(23)17(24)8-20(18)29(21)22;1-26-5-2-6-27(8-7-26)17-3-4-24-22-15(17)9-14(12-23)21-25-16-10-19-20(30-13-29-19)11-18(16)28(21)22;1-23-22(29)16-12-15-18(27-11-9-14(13-27)26(2)3)8-10-24-20(15)28-19-7-5-4-6-17(19)25-21(16)28;1-25(2)15-8-10-26(13-15)18-7-9-23-21-16(18)11-14(12-22)20-24-17-5-3-4-6-19(17)27(20)21/h6-9,13-14H,5,10-12H2,1-4H3,(H,26,31);6-9,12-13H,5,10-11H2,1-4H3,(H,27,32);5-9,11,13,15-16H,10,12,14H2,1-4H3,(H,26,31);9-12H,4-8H2,1-3H3,(H,26,32);4-5,10-12H,3,6-9,13H2,1-2H3,(H,24,30);5-8,13-14H,4,9-12H2,1-3H3,(H,24,30);5-9,11,13,15H,4,10,12,14H2,1-3H3,(H,24,30);3-4,6-8,12-13H,5,10-11H2,1-2H3;3-4,9-11H,2,5-8,13H2,1H3;4-8,10,12,14H,9,11,13H2,1-3H3,(H,23,29);3-7,9,11,15H,8,10,13H2,1-2H3/t13-,14+;12-,13+;16-;;;;15-;12-,13+;;14-;15-/m..1...1..11/s1
• InChIKey: AEAIYHOFUKIKGI-YDIDHCBCSA-N
• XLogP: 35.88
• TPSA: 753.20 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 69
• Rotatable Bonds: 25
• Heavy Atoms: 335
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4512.29
LogP ≤ 5	35.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	69

Frequently Asked Questions

What is the IUPAC name of 9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide?

The IUPAC name of 9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide (CID 157085395) is 9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide.

What is the SMILES notation for 9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide?

The canonical SMILES for 9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide is CC(C)NC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12.CCNC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12.CN(C)[C@@H]1CCN(c2ccnc3c2cc(C#N)c2nc4ccccc4n23)C1.CN1CCCN(c2ccnc3c2cc(C#N)c2nc4cc5c(cc4n23)OCO5)CC1.CNC(=O)c1cc2c(N3CCCN(C)CC3)cc(C)nc2n2c1nc1cc(F)c(F)cc12.CNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1cc3c(cc12)OCO3.CNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1ccc(C)cc12.CNC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12.CNC(=O)c1cc2c(N3C[C@H](C)C[C@H](C)C3)cc(C)nc2n2c1nc1cc(F)c(F)cc12.CNC(=O)c1cc2c(N3C[C@H](C)C[C@H](C)C3)cc(C)nc2n2c1nc1cc3c(cc12)OCO3.C[C@@H]1C[C@H](C)CN(c2ccnc3c2cc(C#N)c2nc4cc(F)c(F)cc4n23)C1.

What is the InChIKey of 9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide?

The InChIKey is AEAIYHOFUKIKGI-YDIDHCBCSA-N. The full InChI is InChI=1S/C25H27N5O3.C24H25F2N5O.C24H28N6O.C23H24F2N6O.C23H24N6O3.2C23H26N6O.C22H19F2N5.C22H20N6O2.C22H24N6O.C21H20N6/c1-13-5-14(2)11-29(10-13)19-6-15(3)27-23-16(19)7-17(25(31)26-4)24-28-18-8-21-22(33-12-32-21)9-20(18)30(23)24;1-12-5-13(2)11-30(10-12)20-6-14(3)28-22-15(20)7-16(24(32)27-4)23-29-19-8-17(25)18(26)9-21(19)31(22)23;1-15(2)26-24(31)18-13-17-20(29-12-10-16(14-29)28(3)4)9-11-25-22(17)30-21-8-6-5-7-19(21)27-23(18)30;1-13-9-19(30-6-4-5-29(3)7-8-30)14-10-15(23(32)26-2)22-28-18-11-16(24)17(25)12-20(18)31(22)21(14)27-13;1-24-23(30)15-10-14-17(28-7-3-6-27(2)8-9-28)4-5-25-21(14)29-18-12-20-19(31-13-32-20)11-16(18)26-22(15)29;1-15-5-6-18-20(13-15)29-21-16(14-17(22(29)26-18)23(30)24-2)19(7-8-25-21)28-10-4-9-27(3)11-12-28;1-4-24-23(30)17-13-16-19(28-12-10-15(14-28)27(2)3)9-11-25-21(16)29-20-8-6-5-7-18(20)26-22(17)29;1-12-5-13(2)11-28(10-12)19-3-4-26-22-15(19)6-14(9-25)21-27-18-7-16(23)17(24)8-20(18)29(21)22;1-26-5-2-6-27(8-7-26)17-3-4-24-22-15(17)9-14(12-23)21-25-16-10-19-20(30-13-29-19)11-18(16)28(21)22;1-23-22(29)16-12-15-18(27-11-9-14(13-27)26(2)3)8-10-24-20(15)28-19-7-5-4-6-17(19)25-21(16)28;1-25(2)15-8-10-26(13-15)18-7-9-23-21-16(18)11-14(12-22)20-24-17-5-3-4-6-19(17)27(20)21/h6-9,13-14H,5,10-12H2,1-4H3,(H,26,31);6-9,12-13H,5,10-11H2,1-4H3,(H,27,32);5-9,11,13,15-16H,10,12,14H2,1-4H3,(H,26,31);9-12H,4-8H2,1-3H3,(H,26,32);4-5,10-12H,3,6-9,13H2,1-2H3,(H,24,30);5-8,13-14H,4,9-12H2,1-3H3,(H,24,30);5-9,11,13,15H,4,10,12,14H2,1-3H3,(H,24,30);3-4,6-8,12-13H,5,10-11H2,1-2H3;3-4,9-11H,2,5-8,13H2,1H3;4-8,10,12,14H,9,11,13H2,1-3H3,(H,23,29);3-7,9,11,15H,8,10,13H2,1-2H3/t13-,14+;12-,13+;16-;;;;15-;12-,13+;;14-;15-/m..1...1..11/s1.

What are the key properties of 9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide?

9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide has a molecular weight of 4512.29 g/mol, XLogP of 35.88, 25 rotatable bonds, 8 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-difluoro-N,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-9,10-difluoro-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;16-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N,18-dimethyl-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide;16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide is sourced from PubChem (CID 157085395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).