4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C107H107F3N30O3 — CID 158576683

IUPAC4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCC(C)NC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccccc12.CCNC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12.CNC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12.Cc1cc(N2CCC[C@@H](N)C2)c2cc(C#N)c3nc4ccccc4n3c2n1.N#Cc1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12
InChIInChI=1S/C23H26N6O.C22H23FN6O.C21H21FN6O.C21H20N6.C20H17FN6/c1-14(2)26-23(30)17-12-16-19(28-11-5-6-15(24)13-28)9-10-25-21(16)29-20-8-4-3-7-18(20)27-22(17)29;1-2-25-22(30)16-11-15-18(28-9-3-4-14(24)12-28)7-8-26-20(15)29-19-10-13(23)5-6-17(19)27-21(16)29;1-24-21(29)15-10-14-17(27-8-2-3-13(23)11-27)6-7-25-19(14)28-18-9-12(22)4-5-16(18)26-20(15)28;1-13-9-19(26-8-4-5-15(23)12-26)16-10-14(11-22)20-25-17-6-2-3-7-18(17)27(20)21(16)24-13;21-13-3-4-16-18(9-13)27-19(25-16)12(10-22)8-15-17(5-6-24-20(15)27)26-7-1-2-14(23)11-26/h3-4,7-10,12,14-15H,5-6,11,13,24H2,1-2H3,(H,26,30);5-8,10-11,14H,2-4,9,12,24H2,1H3,(H,25,30);4-7,9-10,13H,2-3,8,11,23H2,1H3,(H,24,29);2-3,6-7,9-10,15H,4-5,8,12,23H2,1H3;3-6,8-9,14H,1-2,7,11,23H2/t15-;14-;13-;15-;14-/m11111/s1
InChIKeyHSTAJERHORPNQP-WNMSCMCISA-N
MW1918.23 g/mol
LogP14.53
Rot. Bonds10

About 4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 158576683) has the molecular formula C107H107F3N30O3 and a molecular weight of 1918.23 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID158576683
Molecular FormulaC107H107F3N30O3
Molecular Weight1918.23 g/mol
Exact Mass1916.91
IUPAC Name4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCC(C)NC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccccc12.CCNC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12.CNC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12.Cc1cc(N2CCC[C@@H](N)C2)c2cc(C#N)c3nc4ccccc4n3c2n1.N#Cc1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12
InChIInChI=1S/C23H26N6O.C22H23FN6O.C21H21FN6O.C21H20N6.C20H17FN6/c1-14(2)26-23(30)17-12-16-19(28-11-5-6-15(24)13-28)9-10-25-21(16)29-20-8-4-3-7-18(20)27-22(17)29;1-2-25-22(30)16-11-15-18(28-9-3-4-14(24)12-28)7-8-26-20(15)29-19-10-13(23)5-6-17(19)27-21(16)29;1-24-21(29)15-10-14-17(27-8-2-3-13(23)11-27)6-7-25-19(14)28-18-9-12(22)4-5-16(18)26-20(15)28;1-13-9-19(26-8-4-5-15(23)12-26)16-10-14(11-22)20-25-17-6-2-3-7-18(17)27(20)21(16)24-13;21-13-3-4-16-18(9-13)27-19(25-16)12(10-22)8-15-17(5-6-24-20(15)27)26-7-1-2-14(23)11-26/h3-4,7-10,12,14-15H,5-6,11,13,24H2,1-2H3,(H,26,30);5-8,10-11,14H,2-4,9,12,24H2,1H3,(H,25,30);4-7,9-10,13H,2-3,8,11,23H2,1H3,(H,24,29);2-3,6-7,9-10,15H,4-5,8,12,23H2,1H3;3-6,8-9,14H,1-2,7,11,23H2/t15-;14-;13-;15-;14-/m11111/s1
InChIKeyHSTAJERHORPNQP-WNMSCMCISA-N
XLogP14.53
TPSA432.13 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001918.23
LogP ≤ 514.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-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-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 158576683) is 4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is CC(C)NC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccccc12.CCNC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12.CNC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12.Cc1cc(N2CCC[C@@H](N)C2)c2cc(C#N)c3nc4ccccc4n3c2n1.N#Cc1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12.
What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is HSTAJERHORPNQP-WNMSCMCISA-N. The full InChI is InChI=1S/C23H26N6O.C22H23FN6O.C21H21FN6O.C21H20N6.C20H17FN6/c1-14(2)26-23(30)17-12-16-19(28-11-5-6-15(24)13-28)9-10-25-21(16)29-20-8-4-3-7-18(20)27-22(17)29;1-2-25-22(30)16-11-15-18(28-9-3-4-14(24)12-28)7-8-26-20(15)29-19-10-13(23)5-6-17(19)27-21(16)29;1-24-21(29)15-10-14-17(27-8-2-3-13(23)11-27)6-7-25-19(14)28-18-9-12(22)4-5-16(18)26-20(15)28;1-13-9-19(26-8-4-5-15(23)12-26)16-10-14(11-22)20-25-17-6-2-3-7-18(17)27(20)21(16)24-13;21-13-3-4-16-18(9-13)27-19(25-16)12(10-22)8-15-17(5-6-24-20(15)27)26-7-1-2-14(23)11-26/h3-4,7-10,12,14-15H,5-6,11,13,24H2,1-2H3,(H,26,30);5-8,10-11,14H,2-4,9,12,24H2,1H3,(H,25,30);4-7,9-10,13H,2-3,8,11,23H2,1H3,(H,24,29);2-3,6-7,9-10,15H,4-5,8,12,23H2,1H3;3-6,8-9,14H,1-2,7,11,23H2/t15-;14-;13-;15-;14-/m11111/s1.
What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 1918.23 g/mol, XLogP of 14.53, 10 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 158576683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).