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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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

C135H142N36O8 — CID 159410177

About 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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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

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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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 159410177) has the molecular formula C135H142N36O8 and a molecular weight of 2396.86 g/mol. Its IUPAC name is 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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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: 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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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: 159410177
• Molecular Formula: C135H142N36O8
• Molecular Weight: 2396.86 g/mol
• Exact Mass: 2395.18
• IUPAC Name: 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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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: CCNC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12.CN(C)[C@@H]1CCN(c2ccnc3c2cc(C#N)c2nc4ccccc4n23)C1.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.Cc1cc(N2CCCN(C)CC2)c2cc(C#N)c3nc4cc5c(cc4n3c2n1)OCO5
• InChI: InChI=1S/C23H24N6O3.C23H22N6O2.2C23H26N6O.C22H24N6O.C21H20N6/c1-24-23(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;1-14-8-18(28-5-3-4-27(2)6-7-28)16-9-15(12-24)22-26-17-10-20-21(31-13-30-20)11-19(17)29(22)23(16)25-14;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;1-23-22(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/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,24,30);8-11H,3-7,13H2,1-2H3;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);4-8,10,12,14H,9,11,13H2,1-3H3,(H,23,29);3-7,9,11,15H,8,10,13H2,1-2H3/t;;;15-;14-;15-/m...111/s1
• InChIKey: LOMBNQKVDYJJDM-KRFFJMRVSA-N
• XLogP: 16.71
• TPSA: 420.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 40
• Rotatable Bonds: 14
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2396.86
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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 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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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 159410177) is 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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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 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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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 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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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 CCNC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12.CN(C)[C@@H]1CCN(c2ccnc3c2cc(C#N)c2nc4ccccc4n23)C1.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.Cc1cc(N2CCCN(C)CC2)c2cc(C#N)c3nc4cc5c(cc4n3c2n1)OCO5.

What is the InChIKey of 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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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 LOMBNQKVDYJJDM-KRFFJMRVSA-N. The full InChI is InChI=1S/C23H24N6O3.C23H22N6O2.2C23H26N6O.C22H24N6O.C21H20N6/c1-24-23(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;1-14-8-18(28-5-3-4-27(2)6-7-28)16-9-15(12-24)22-26-17-10-20-21(31-13-30-20)11-19(17)29(22)23(16)25-14;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;1-23-22(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/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,24,30);8-11H,3-7,13H2,1-2H3;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);4-8,10,12,14H,9,11,13H2,1-3H3,(H,23,29);3-7,9,11,15H,8,10,13H2,1-2H3/t;;;15-;14-;15-/m...111/s1.

What are the key properties of 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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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?

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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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 2396.86 g/mol, XLogP of 16.71, 14 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 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;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-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-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 159410177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).