4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C110H115N29O3 — CID 159660923

IUPAC4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-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(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccccc12.CNC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccccc12.Cc1cc(N2CC[C@H](N(C)C)C2)c2cc(C#N)c3nc4ccccc4n3c2n1.N#Cc1cc2c(C3CCC[C@@H](N)C3)ccnc2n2c1nc1ccccc12
InChIInChI=1S/C24H28N6O.C22H24N6O.C22H22N6.C21H22N6O.C21H19N5/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;1-2-24-22(29)16-12-15-18(27-11-5-6-14(23)13-27)9-10-25-20(15)28-19-8-4-3-7-17(19)26-21(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;1-23-21(28)15-11-14-17(26-10-4-5-13(22)12-26)8-9-24-19(14)27-18-7-3-2-6-16(18)25-20(15)27;22-12-14-11-17-16(13-4-3-5-15(23)10-13)8-9-24-21(17)26-19-7-2-1-6-18(19)25-20(14)26/h5-9,11,13,15-16H,10,12,14H2,1-4H3,(H,26,31);3-4,7-10,12,14H,2,5-6,11,13,23H2,1H3,(H,24,29);4-7,10-11,16H,8-9,13H2,1-3H3;2-3,6-9,11,13H,4-5,10,12,22H2,1H3,(H,23,28);1-2,6-9,11,13,15H,3-5,10,23H2/t16-;14-;16-;13-;13?,15-/m01011/s1
InChIKeyMSUGGISMELUJMD-HKVWYHRTSA-N
MW1891.33 g/mol
LogP15.60
Rot. Bonds12

About 4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 159660923) has the molecular formula C110H115N29O3 and a molecular weight of 1891.33 g/mol. Its IUPAC name is 4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID159660923
Molecular FormulaC110H115N29O3
Molecular Weight1891.33 g/mol
Exact Mass1889.97
IUPAC Name4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-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(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccccc12.CNC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccccc12.Cc1cc(N2CC[C@H](N(C)C)C2)c2cc(C#N)c3nc4ccccc4n3c2n1.N#Cc1cc2c(C3CCC[C@@H](N)C3)ccnc2n2c1nc1ccccc12
InChIInChI=1S/C24H28N6O.C22H24N6O.C22H22N6.C21H22N6O.C21H19N5/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;1-2-24-22(29)16-12-15-18(27-11-5-6-14(23)13-27)9-10-25-20(15)28-19-8-4-3-7-17(19)26-21(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;1-23-21(28)15-11-14-17(26-10-4-5-13(22)12-26)8-9-24-19(14)27-18-7-3-2-6-16(18)25-20(15)27;22-12-14-11-17-16(13-4-3-5-15(23)10-13)8-9-24-21(17)26-19-7-2-1-6-18(19)25-20(14)26/h5-9,11,13,15-16H,10,12,14H2,1-4H3,(H,26,31);3-4,7-10,12,14H,2,5-6,11,13,23H2,1H3,(H,24,29);4-7,10-11,16H,8-9,13H2,1-3H3;2-3,6-9,11,13H,4-5,10,12,22H2,1H3,(H,23,28);1-2,6-9,11,13,15H,3-5,10,23H2/t16-;14-;16-;13-;13?,15-/m01011/s1
InChIKeyMSUGGISMELUJMD-HKVWYHRTSA-N
XLogP15.60
TPSA383.33 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001891.33
LogP ≤ 515.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-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-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 159660923) is 4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-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(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccccc12.CNC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccccc12.Cc1cc(N2CC[C@H](N(C)C)C2)c2cc(C#N)c3nc4ccccc4n3c2n1.N#Cc1cc2c(C3CCC[C@@H](N)C3)ccnc2n2c1nc1ccccc12.
What is the InChIKey of 4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is MSUGGISMELUJMD-HKVWYHRTSA-N. The full InChI is InChI=1S/C24H28N6O.C22H24N6O.C22H22N6.C21H22N6O.C21H19N5/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;1-2-24-22(29)16-12-15-18(27-11-5-6-14(23)13-27)9-10-25-20(15)28-19-8-4-3-7-17(19)26-21(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;1-23-21(28)15-11-14-17(26-10-4-5-13(22)12-26)8-9-24-19(14)27-18-7-3-2-6-16(18)25-20(15)27;22-12-14-11-17-16(13-4-3-5-15(23)10-13)8-9-24-21(17)26-19-7-2-1-6-18(19)25-20(14)26/h5-9,11,13,15-16H,10,12,14H2,1-4H3,(H,26,31);3-4,7-10,12,14H,2,5-6,11,13,23H2,1H3,(H,24,29);4-7,10-11,16H,8-9,13H2,1-3H3;2-3,6-9,11,13H,4-5,10,12,22H2,1H3,(H,23,28);1-2,6-9,11,13,15H,3-5,10,23H2/t16-;14-;16-;13-;13?,15-/m01011/s1.
What are the key properties of 4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 1891.33 g/mol, XLogP of 15.60, 12 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 159660923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).