N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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

C93H101FN22O6 — CID 158681475

About N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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

N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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 158681475) has the molecular formula C93H101FN22O6 and a molecular weight of 1641.98 g/mol. Its IUPAC name is N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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: N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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: 158681475
• Molecular Formula: C93H101FN22O6
• Molecular Weight: 1641.98 g/mol
• Exact Mass: 1640.83
• IUPAC Name: N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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: CCNC(=O)c1cc2c(N3C[C@H](C)C[C@H](C)C3)ccnc2n2c1nc1ccccc12.CNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1cc3c(cc12)OCO3.CNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1ccc(C)cc12.CNC(=O)c1cc2c(N3C[C@H](C)C[C@H](C)C3)ccnc2n2c1nc1ccc(F)cc12
• InChI: InChI=1S/C24H27N5O.C23H24FN5O.C23H24N6O3.C23H26N6O/c1-4-25-24(30)18-12-17-20(28-13-15(2)11-16(3)14-28)9-10-26-22(17)29-21-8-6-5-7-19(21)27-23(18)29;1-13-8-14(2)12-28(11-13)19-6-7-26-21-16(19)10-17(23(30)25-3)22-27-18-5-4-15(24)9-20(18)29(21)22;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/h5-10,12,15-16H,4,11,13-14H2,1-3H3,(H,25,30);4-7,9-10,13-14H,8,11-12H2,1-3H3,(H,25,30);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)/t15-,16+;13-,14+
• InChIKey: IFELEBMCYDXOSU-PRONCUDKSA-N
• XLogP: 13.40
• TPSA: 275.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1641.98
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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 N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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 158681475) is N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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 N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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 N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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 CCNC(=O)c1cc2c(N3C[C@H](C)C[C@H](C)C3)ccnc2n2c1nc1ccccc12.CNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1cc3c(cc12)OCO3.CNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1ccc(C)cc12.CNC(=O)c1cc2c(N3C[C@H](C)C[C@H](C)C3)ccnc2n2c1nc1ccc(F)cc12.

What is the InChIKey of N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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 IFELEBMCYDXOSU-PRONCUDKSA-N. The full InChI is InChI=1S/C24H27N5O.C23H24FN5O.C23H24N6O3.C23H26N6O/c1-4-25-24(30)18-12-17-20(28-13-15(2)11-16(3)14-28)9-10-26-22(17)29-21-8-6-5-7-19(21)27-23(18)29;1-13-8-14(2)12-28(11-13)19-6-7-26-21-16(19)10-17(23(30)25-3)22-27-18-5-4-15(24)9-20(18)29(21)22;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/h5-10,12,15-16H,4,11,13-14H2,1-3H3,(H,25,30);4-7,9-10,13-14H,8,11-12H2,1-3H3,(H,25,30);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)/t15-,16+;13-,14+;;.

What are the key properties of N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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?

N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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 1641.98 g/mol, XLogP of 13.40, 9 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;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 158681475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).