N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine

C175H222B3F2N19O15 — CID 160610759

IUPACN-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCC(C)C1OB(O)c2ccccc21.CC(C)c1cnc2c(c1)CCC(CC(=O)OCc1ccccc1)C2.CC(C)c1cnc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCC(F)(F)CN)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCCC(=O)OCc3ccccc3)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCN)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccccc1)CC2.CC(C)c1cnc2c(c1)CNCC2.CCC1OB(O)c2ccc(C(C)C)cc21.CNc1ccc2c(c1)B(O)OC2C(C)C
InChIInChI=1S/C30H35N3O3.C22H28F2N4O.C21H28N4O.C21H25NO2.C19H22N2O2.C18H22N2.C12H17BO2.C11H16BNO2.C11H16N2.C10H13BO2/c1-22(2)26-17-27-20-33(16-14-28(27)32-18-26)19-23-10-12-25(13-11-23)30(35)31-15-6-9-29(34)36-21-24-7-4-3-5-8-24;1-15(2)18-9-19-12-28(8-7-20(19)26-10-18)11-16-3-5-17(6-4-16)21(29)27-14-22(23,24)13-25;1-15(2)18-11-19-14-25(10-7-20(19)24-12-18)13-16-3-5-17(6-4-16)21(26)23-9-8-22;1-15(2)19-12-18-9-8-17(10-20(18)22-13-19)11-21(23)24-14-16-6-4-3-5-7-16;1-14(2)16-10-17-12-21(9-8-18(17)20-11-16)19(22)23-13-15-6-4-3-5-7-15;1-14(2)16-10-17-13-20(9-8-18(17)19-11-16)12-15-6-4-3-5-7-15;1-4-12-10-7-9(8(2)3)5-6-11(10)13(14)15-12;1-7(2)11-9-5-4-8(13-3)6-10(9)12(14)15-11;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9;1-7(2)10-8-5-3-4-6-9(8)11(12)13-10/h3-5,7-8,10-13,17-18,22H,6,9,14-16,19-21H2,1-2H3,(H,31,35);3-6,9-10,15H,7-8,11-14,25H2,1-2H3,(H,27,29);3-6,11-12,15H,7-10,13-14,22H2,1-2H3,(H,23,26);3-7,12-13,15,17H,8-11,14H2,1-2H3;3-7,10-11,14H,8-9,12-13H2,1-2H3;3-7,10-11,14H,8-9,12-13H2,1-2H3;5-8,12,14H,4H2,1-3H3;4-7,11,13-14H,1-3H3;5,7-8,12H,3-4,6H2,1-2H3;3-7,10,12H,1-2H3
InChIKeyRFMFAIDELCYQCJ-UHFFFAOYSA-N
MW2902.25 g/mol
LogP28.74
Rot. Bonds40

About N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine

N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 160610759) has the molecular formula C175H222B3F2N19O15 and a molecular weight of 2902.25 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID160610759
Molecular FormulaC175H222B3F2N19O15
Molecular Weight2902.25 g/mol
Exact Mass2900.74
IUPAC NameN-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCC(C)C1OB(O)c2ccccc21.CC(C)c1cnc2c(c1)CCC(CC(=O)OCc1ccccc1)C2.CC(C)c1cnc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCC(F)(F)CN)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCCC(=O)OCc3ccccc3)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCN)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccccc1)CC2.CC(C)c1cnc2c(c1)CNCC2.CCC1OB(O)c2ccc(C(C)C)cc21.CNc1ccc2c(c1)B(O)OC2C(C)C
InChIInChI=1S/C30H35N3O3.C22H28F2N4O.C21H28N4O.C21H25NO2.C19H22N2O2.C18H22N2.C12H17BO2.C11H16BNO2.C11H16N2.C10H13BO2/c1-22(2)26-17-27-20-33(16-14-28(27)32-18-26)19-23-10-12-25(13-11-23)30(35)31-15-6-9-29(34)36-21-24-7-4-3-5-8-24;1-15(2)18-9-19-12-28(8-7-20(19)26-10-18)11-16-3-5-17(6-4-16)21(29)27-14-22(23,24)13-25;1-15(2)18-11-19-14-25(10-7-20(19)24-12-18)13-16-3-5-17(6-4-16)21(26)23-9-8-22;1-15(2)19-12-18-9-8-17(10-20(18)22-13-19)11-21(23)24-14-16-6-4-3-5-7-16;1-14(2)16-10-17-12-21(9-8-18(17)20-11-16)19(22)23-13-15-6-4-3-5-7-15;1-14(2)16-10-17-13-20(9-8-18(17)19-11-16)12-15-6-4-3-5-7-15;1-4-12-10-7-9(8(2)3)5-6-11(10)13(14)15-12;1-7(2)11-9-5-4-8(13-3)6-10(9)12(14)15-11;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9;1-7(2)10-8-5-3-4-6-9(8)11(12)13-10/h3-5,7-8,10-13,17-18,22H,6,9,14-16,19-21H2,1-2H3,(H,31,35);3-6,9-10,15H,7-8,11-14,25H2,1-2H3,(H,27,29);3-6,11-12,15H,7-10,13-14,22H2,1-2H3,(H,23,26);3-7,12-13,15,17H,8-11,14H2,1-2H3;3-7,10-11,14H,8-9,12-13H2,1-2H3;3-7,10-11,14H,8-9,12-13H2,1-2H3;5-8,12,14H,4H2,1-3H3;4-7,11,13-14H,1-3H3;5,7-8,12H,3-4,6H2,1-2H3;3-7,10,12H,1-2H3
InChIKeyRFMFAIDELCYQCJ-UHFFFAOYSA-N
XLogP28.74
TPSA437.11 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds40
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002902.25
LogP ≤ 528.74
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine with MolForge

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Launch Full Analysis

Related Compounds

N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 157955222
N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 3-propan-2-yl-5,6,7,8-tetrahydroquinoline-6-carboxylate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
CID 158407814
N-[3-(6-acetamido-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158840993
CID 158889532
CID 158889532
N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
CID 159140788
2-amino-8-N-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;[4-[(3S)-6-(carbamoylamino)-3-[[9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[6-(carbamoylamino)-3-[[9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2,2-difluoro-3-[(4-methylbenzoyl)amino]propyl]carbamate
CID 159250107
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-(2-propan-2-yl-4-pyridinyl)indolizine-7-carboxylate;hydrochloride
CID 159369975
[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-methyl-4-oxo-2-propan-2-yldodecanoyl]amino]-2-oxohexyl]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-methyl-4-oxo-2-propan-2-yldodecanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]butanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(8-methylnonanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate
CID 159590614
Ethyl 4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylate;4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylic acid;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 159770956
N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 159900485
2-amino-8-N-[5-[(4S)-4-amino-5-methyl-3-oxohexyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[(1-hydroxy-3H-2,1-benzoxaborol-3-yl)methyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(7-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]methyl]-1-hydroxy-3H-2,1-benzoxaborol-6-yl]carbamate;2,2,2-trifluoroacetic acid
CID 160276336
2-amino-8-N-[5-[(4S)-4-amino-5-methyl-3-oxohexyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[(1-hydroxy-3H-2,1-benzoxaborol-3-yl)methyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(7-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-(3-oxo-6-phenylhexyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;benzyl N-[3-[[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]methyl]-1-hydroxy-3H-2,1-benzoxaborol-6-yl]carbamate;2,2,2-trifluoroacetic acid
CID 160513944

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 160610759) is N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine is CC(C)C1OB(O)c2ccccc21.CC(C)c1cnc2c(c1)CCC(CC(=O)OCc1ccccc1)C2.CC(C)c1cnc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCC(F)(F)CN)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCCC(=O)OCc3ccccc3)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCN)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccccc1)CC2.CC(C)c1cnc2c(c1)CNCC2.CCC1OB(O)c2ccc(C(C)C)cc21.CNc1ccc2c(c1)B(O)OC2C(C)C.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is RFMFAIDELCYQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3.C22H28F2N4O.C21H28N4O.C21H25NO2.C19H22N2O2.C18H22N2.C12H17BO2.C11H16BNO2.C11H16N2.C10H13BO2/c1-22(2)26-17-27-20-33(16-14-28(27)32-18-26)19-23-10-12-25(13-11-23)30(35)31-15-6-9-29(34)36-21-24-7-4-3-5-8-24;1-15(2)18-9-19-12-28(8-7-20(19)26-10-18)11-16-3-5-17(6-4-16)21(29)27-14-22(23,24)13-25;1-15(2)18-11-19-14-25(10-7-20(19)24-12-18)13-16-3-5-17(6-4-16)21(26)23-9-8-22;1-15(2)19-12-18-9-8-17(10-20(18)22-13-19)11-21(23)24-14-16-6-4-3-5-7-16;1-14(2)16-10-17-12-21(9-8-18(17)20-11-16)19(22)23-13-15-6-4-3-5-7-15;1-14(2)16-10-17-13-20(9-8-18(17)19-11-16)12-15-6-4-3-5-7-15;1-4-12-10-7-9(8(2)3)5-6-11(10)13(14)15-12;1-7(2)11-9-5-4-8(13-3)6-10(9)12(14)15-11;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9;1-7(2)10-8-5-3-4-6-9(8)11(12)13-10/h3-5,7-8,10-13,17-18,22H,6,9,14-16,19-21H2,1-2H3,(H,31,35);3-6,9-10,15H,7-8,11-14,25H2,1-2H3,(H,27,29);3-6,11-12,15H,7-10,13-14,22H2,1-2H3,(H,23,26);3-7,12-13,15,17H,8-11,14H2,1-2H3;3-7,10-11,14H,8-9,12-13H2,1-2H3;3-7,10-11,14H,8-9,12-13H2,1-2H3;5-8,12,14H,4H2,1-3H3;4-7,11,13-14H,1-3H3;5,7-8,12H,3-4,6H2,1-2H3;3-7,10,12H,1-2H3.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?
N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 2902.25 g/mol, XLogP of 28.74, 40 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 160610759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).