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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C91H98F2N24O3 — CID 159309604

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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCC(C)NC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12.CCNC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12.CNC(=O)c1cc2c(N3CC[C@H](N(C)C)C3)cc(C)nc2n2c1nc1ccccc12.Cc1cc2nc3c(C#N)cc4c(N5CC[C@H](N(C)C)C5)ccnc4n3c2cc1C
InChIInChI=1S/C23H25FN6O.C23H26N6O.C23H24N6.C22H23FN6O/c1-13(2)27-23(31)17-11-16-19(29-9-3-4-15(25)12-29)7-8-26-21(16)30-20-10-14(24)5-6-18(20)28-22(17)30;1-14-11-20(28-10-9-15(13-28)27(3)4)16-12-17(23(30)24-2)22-26-18-7-5-6-8-19(18)29(22)21(16)25-14;1-14-9-19-21(10-15(14)2)29-22(26-19)16(12-24)11-18-20(5-7-25-23(18)29)28-8-6-17(13-28)27(3)4;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/h5-8,10-11,13,15H,3-4,9,12,25H2,1-2H3,(H,27,31);5-8,11-12,15H,9-10,13H2,1-4H3,(H,24,30);5,7,9-11,17H,6,8,13H2,1-4H3;5-8,10-11,14H,2-4,9,12,24H2,1H3,(H,25,30)/t2*15-;17-;14-/m1001/s1
InChIKeyLCJFBWBORNAEMY-XRGYVQHYSA-N
MW1613.95 g/mol
LogP12.60
Rot. Bonds11

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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 159309604) has the molecular formula C91H98F2N24O3 and a molecular weight of 1613.95 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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID159309604
Molecular FormulaC91H98F2N24O3
Molecular Weight1613.95 g/mol
Exact Mass1612.82
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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCC(C)NC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12.CCNC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12.CNC(=O)c1cc2c(N3CC[C@H](N(C)C)C3)cc(C)nc2n2c1nc1ccccc12.Cc1cc2nc3c(C#N)cc4c(N5CC[C@H](N(C)C)C5)ccnc4n3c2cc1C
InChIInChI=1S/C23H25FN6O.C23H26N6O.C23H24N6.C22H23FN6O/c1-13(2)27-23(31)17-11-16-19(29-9-3-4-15(25)12-29)7-8-26-21(16)30-20-10-14(24)5-6-18(20)28-22(17)30;1-14-11-20(28-10-9-15(13-28)27(3)4)16-12-17(23(30)24-2)22-26-18-7-5-6-8-19(18)29(22)21(16)25-14;1-14-9-19-21(10-15(14)2)29-22(26-19)16(12-24)11-18-20(5-7-25-23(18)29)28-8-6-17(13-28)27(3)4;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/h5-8,10-11,13,15H,3-4,9,12,25H2,1-2H3,(H,27,31);5-8,11-12,15H,9-10,13H2,1-4H3,(H,24,30);5,7,9-11,17H,6,8,13H2,1-4H3;5-8,10-11,14H,2-4,9,12,24H2,1H3,(H,25,30)/t2*15-;17-;14-/m1001/s1
InChIKeyLCJFBWBORNAEMY-XRGYVQHYSA-N
XLogP12.60
TPSA303.33 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds11
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001613.95
LogP ≤ 512.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 159309604) 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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is CC(C)NC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12.CCNC(=O)c1cc2c(N3CCC[C@@H](N)C3)ccnc2n2c1nc1ccc(F)cc12.CNC(=O)c1cc2c(N3CC[C@H](N(C)C)C3)cc(C)nc2n2c1nc1ccccc12.Cc1cc2nc3c(C#N)cc4c(N5CC[C@H](N(C)C)C5)ccnc4n3c2cc1C.
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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is LCJFBWBORNAEMY-XRGYVQHYSA-N. The full InChI is InChI=1S/C23H25FN6O.C23H26N6O.C23H24N6.C22H23FN6O/c1-13(2)27-23(31)17-11-16-19(29-9-3-4-15(25)12-29)7-8-26-21(16)30-20-10-14(24)5-6-18(20)28-22(17)30;1-14-11-20(28-10-9-15(13-28)27(3)4)16-12-17(23(30)24-2)22-26-18-7-5-6-8-19(18)29(22)21(16)25-14;1-14-9-19-21(10-15(14)2)29-22(26-19)16(12-24)11-18-20(5-7-25-23(18)29)28-8-6-17(13-28)27(3)4;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/h5-8,10-11,13,15H,3-4,9,12,25H2,1-2H3,(H,27,31);5-8,11-12,15H,9-10,13H2,1-4H3,(H,24,30);5,7,9-11,17H,6,8,13H2,1-4H3;5-8,10-11,14H,2-4,9,12,24H2,1H3,(H,25,30)/t2*15-;17-;14-/m1001/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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 1613.95 g/mol, XLogP of 12.60, 11 rotatable bonds, 5 hydrogen bond donors, and 24 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-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 159309604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).