4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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

C112H120N30O3 — CID 159688378

IUPAC4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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
SMILESCC(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.CNC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12.Cc1cc(N2CC[C@@H](N(C)C)C2)c2cc(C#N)c3nc4ccccc4n3c2n1
InChIInChI=1S/C24H28N6O.C23H26N6O.C22H24N6O.C22H22N6.C21H20N6/c1-15(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;1-4-24-23(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;1-14-10-20(27-9-8-16(13-27)26(2)3)17-11-15(12-23)21-25-18-6-4-5-7-19(18)28(21)22(17)24-14;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/h5-9,11,13,15-16H,10,12,14H2,1-4H3,(H,26,31);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);4-7,10-11,16H,8-9,13H2,1-3H3;3-7,9,11,15H,8,10,13H2,1-2H3/t16-;15-;14-;16-;15-/m11110/s1
InChIKeyMWCBFBMYECUZRD-GIOFOKBISA-N
MW1934.40 g/mol
LogP15.18
Rot. Bonds15

About 4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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

4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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 (PubChem CID 159688378) has the molecular formula C112H120N30O3 and a molecular weight of 1934.40 g/mol. Its IUPAC name is 4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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.

Molecular Properties

Compound Name4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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
PubChem CID159688378
Molecular FormulaC112H120N30O3
Molecular Weight1934.40 g/mol
Exact Mass1933.02
IUPAC Name4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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
SMILESCC(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.CNC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12.Cc1cc(N2CC[C@@H](N(C)C)C2)c2cc(C#N)c3nc4ccccc4n3c2n1
InChIInChI=1S/C24H28N6O.C23H26N6O.C22H24N6O.C22H22N6.C21H20N6/c1-15(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;1-4-24-23(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;1-14-10-20(27-9-8-16(13-27)26(2)3)17-11-15(12-23)21-25-18-6-4-5-7-19(18)28(21)22(17)24-14;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/h5-9,11,13,15-16H,10,12,14H2,1-4H3,(H,26,31);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);4-7,10-11,16H,8-9,13H2,1-3H3;3-7,9,11,15H,8,10,13H2,1-2H3/t16-;15-;14-;16-;15-/m11110/s1
InChIKeyMWCBFBMYECUZRD-GIOFOKBISA-N
XLogP15.18
TPSA318.23 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.40
LogP ≤ 515.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze 4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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?
The IUPAC name of 4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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 (CID 159688378) is 4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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.
What is the SMILES notation for 4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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?
The canonical SMILES for 4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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 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.CNC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12.Cc1cc(N2CC[C@@H](N(C)C)C2)c2cc(C#N)c3nc4ccccc4n3c2n1.
What is the InChIKey of 4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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?
The InChIKey is MWCBFBMYECUZRD-GIOFOKBISA-N. The full InChI is InChI=1S/C24H28N6O.C23H26N6O.C22H24N6O.C22H22N6.C21H20N6/c1-15(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;1-4-24-23(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;1-14-10-20(27-9-8-16(13-27)26(2)3)17-11-15(12-23)21-25-18-6-4-5-7-19(18)28(21)22(17)24-14;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/h5-9,11,13,15-16H,10,12,14H2,1-4H3,(H,26,31);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);4-7,10-11,16H,8-9,13H2,1-3H3;3-7,9,11,15H,8,10,13H2,1-2H3/t16-;15-;14-;16-;15-/m11110/s1.
What are the key properties of 4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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?
4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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 has a molecular weight of 1934.40 g/mol, XLogP of 15.18, 15 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-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]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;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 is sourced from PubChem (CID 159688378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).