8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one

C100H71BF4I2N20O12 — CID 159255885

IUPAC8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one
SMILESNc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)c[nH]c(=O)c12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cnc(OCCO)c12.O=c1[nH]cc(I)c2ccncc12.O=c1ncc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccn(O)cc1-2.O=c1ncc(I)c2ccn(O)cc1-2.OB(O)c1cc(-c2ccccc2F)nc2ncccc12.OCCO
InChIInChI=1S/C24H18FN5O2.C22H14FN5O.C22H13FN4O2.C14H10BFN2O2.C8H5IN2O2.C8H5IN2O.C2H6O2/c25-19-6-2-1-4-16(19)20-12-17(15-5-3-8-28-23(15)30-20)18-13-29-24(32-11-10-31)21-14(18)7-9-27-22(21)26;23-17-6-2-1-4-14(17)18-10-15(13-5-3-8-26-21(13)28-18)16-11-27-22(29)19-12(16)7-9-25-20(19)24;23-19-6-2-1-4-15(19)20-10-16(14-5-3-8-24-21(14)26-20)17-11-25-22(28)18-12-27(29)9-7-13(17)18;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;9-7-3-10-8(12)6-4-11(13)2-1-5(6)7;9-7-4-11-8(12)6-3-10-2-1-5(6)7;3-1-2-4/h1-9,12-13,31H,10-11H2,(H2,26,27);1-11H,(H2,24,25)(H,27,29);1-12,29H;1-8,19-20H;1-4,13H;1-4H,(H,11,12);3-4H,1-2H2
InChIKeyYVHKCGQFEQAWIP-UHFFFAOYSA-N
MW2085.41 g/mol
LogP14.73
Rot. Bonds12

About 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one

8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one (PubChem CID 159255885) has the molecular formula C100H71BF4I2N20O12 and a molecular weight of 2085.41 g/mol. Its IUPAC name is 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one
PubChem CID159255885
Molecular FormulaC100H71BF4I2N20O12
Molecular Weight2085.41 g/mol
Exact Mass2084.37
IUPAC Name8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one
SMILESNc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)c[nH]c(=O)c12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cnc(OCCO)c12.O=c1[nH]cc(I)c2ccncc12.O=c1ncc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccn(O)cc1-2.O=c1ncc(I)c2ccn(O)cc1-2.OB(O)c1cc(-c2ccccc2F)nc2ncccc12.OCCO
InChIInChI=1S/C24H18FN5O2.C22H14FN5O.C22H13FN4O2.C14H10BFN2O2.C8H5IN2O2.C8H5IN2O.C2H6O2/c25-19-6-2-1-4-16(19)20-12-17(15-5-3-8-28-23(15)30-20)18-13-29-24(32-11-10-31)21-14(18)7-9-27-22(21)26;23-17-6-2-1-4-14(17)18-10-15(13-5-3-8-26-21(13)28-18)16-11-27-22(29)19-12(16)7-9-25-20(19)24;23-19-6-2-1-4-15(19)20-10-16(14-5-3-8-24-21(14)26-20)17-11-25-22(28)18-12-27(29)9-7-13(17)18;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;9-7-3-10-8(12)6-4-11(13)2-1-5(6)7;9-7-4-11-8(12)6-3-10-2-1-5(6)7;3-1-2-4/h1-9,12-13,31H,10-11H2,(H2,26,27);1-11H,(H2,24,25)(H,27,29);1-12,29H;1-8,19-20H;1-4,13H;1-4H,(H,11,12);3-4H,1-2H2
InChIKeyYVHKCGQFEQAWIP-UHFFFAOYSA-N
XLogP14.73
TPSA493.06 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002085.41
LogP ≤ 514.73
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one with MolForge

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Launch Full Analysis

Related Compounds

[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane
CID 157183279
6-(benzylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one;N-benzyl-1-butoxypyrido[4,3-c][1,6]naphthyridin-6-amine
CID 157590356
8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol
CID 159202242
4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine
CID 159912352
dichloropalladium;2-(2-fluorophenyl)-4-(1-methoxy-2,7-naphthyridin-4-yl)-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;bis(triphenylphosphane)
CID 161660510
4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride
CID 167637733

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one (CID 159255885) is 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one is Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)c[nH]c(=O)c12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cnc(OCCO)c12.O=c1[nH]cc(I)c2ccncc12.O=c1ncc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccn(O)cc1-2.O=c1ncc(I)c2ccn(O)cc1-2.OB(O)c1cc(-c2ccccc2F)nc2ncccc12.OCCO.
What is the InChIKey of 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one?
The InChIKey is YVHKCGQFEQAWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2.C22H14FN5O.C22H13FN4O2.C14H10BFN2O2.C8H5IN2O2.C8H5IN2O.C2H6O2/c25-19-6-2-1-4-16(19)20-12-17(15-5-3-8-28-23(15)30-20)18-13-29-24(32-11-10-31)21-14(18)7-9-27-22(21)26;23-17-6-2-1-4-14(17)18-10-15(13-5-3-8-26-21(13)28-18)16-11-27-22(29)19-12(16)7-9-25-20(19)24;23-19-6-2-1-4-15(19)20-10-16(14-5-3-8-24-21(14)26-20)17-11-25-22(28)18-12-27(29)9-7-13(17)18;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;9-7-3-10-8(12)6-4-11(13)2-1-5(6)7;9-7-4-11-8(12)6-3-10-2-1-5(6)7;3-1-2-4/h1-9,12-13,31H,10-11H2,(H2,26,27);1-11H,(H2,24,25)(H,27,29);1-12,29H;1-8,19-20H;1-4,13H;1-4H,(H,11,12);3-4H,1-2H2.
What are the key properties of 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one?
8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one has a molecular weight of 2085.41 g/mol, XLogP of 14.73, 12 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;ethane-1,2-diol;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-7-hydroxy-2,7-naphthyridin-1-one;7-hydroxy-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 159255885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).