6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one

C150H126Cl6F3N27O6S6 — CID 162145137

IUPAC6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2cc(=O)n(C)c3ccc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)nc23)s1.Cc1ccc(-c2cc(=O)n(C)c3ccc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)nc23)s1.Cc1ccc(-c2cc(=O)n(C)c3cnc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.Cc1ccc(-c2cc(=O)n(C)c3cnc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.Cc1ccc(-c2cc(=O)n(C)c3ncc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.Cc1ccc(-c2cc(=O)n(C)c3ncc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1
InChIInChI=1S/3C25H20ClFN4OS.3C25H22ClN5OS/c1-15-4-10-20(33-15)18-12-23(32)31(3)19-9-11-21(29-24(18)19)25(27,22-13-28-14-30(22)2)16-5-7-17(26)8-6-16;1-15-4-9-21(33-15)19-11-23(32)31(3)24-20(19)10-17(12-29-24)25(27,22-13-28-14-30(22)2)16-5-7-18(26)8-6-16;1-15-4-9-21(33-15)19-11-24(32)31(3)20-12-29-22(10-18(19)20)25(27,23-13-28-14-30(23)2)16-5-7-17(26)8-6-16;1-15-4-10-20(33-15)18-12-23(32)31(3)19-9-11-21(29-24(18)19)25(27,22-13-28-14-30(22)2)16-5-7-17(26)8-6-16;1-15-4-9-21(33-15)19-11-23(32)31(3)24-20(19)10-17(12-29-24)25(27,22-13-28-14-30(22)2)16-5-7-18(26)8-6-16;1-15-4-9-21(33-15)19-11-24(32)31(3)20-12-29-22(10-18(19)20)25(27,23-13-28-14-30(23)2)16-5-7-17(26)8-6-16/h3*4-14H,1-3H3;3*4-14H,27H2,1-3H3/t6*25-/m111111/s1
InChIKeyZKLLBGPAHZALRE-NVJGGPJISA-N
MW2864.95 g/mol
LogP30.68
Rot. Bonds24

About 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one

6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one (PubChem CID 162145137) has the molecular formula C150H126Cl6F3N27O6S6 and a molecular weight of 2864.95 g/mol. Its IUPAC name is 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one
PubChem CID162145137
Molecular FormulaC150H126Cl6F3N27O6S6
Molecular Weight2864.95 g/mol
Exact Mass2859.68
IUPAC Name6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2cc(=O)n(C)c3ccc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)nc23)s1.Cc1ccc(-c2cc(=O)n(C)c3ccc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)nc23)s1.Cc1ccc(-c2cc(=O)n(C)c3cnc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.Cc1ccc(-c2cc(=O)n(C)c3cnc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.Cc1ccc(-c2cc(=O)n(C)c3ncc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.Cc1ccc(-c2cc(=O)n(C)c3ncc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1
InChIInChI=1S/3C25H20ClFN4OS.3C25H22ClN5OS/c1-15-4-10-20(33-15)18-12-23(32)31(3)19-9-11-21(29-24(18)19)25(27,22-13-28-14-30(22)2)16-5-7-17(26)8-6-16;1-15-4-9-21(33-15)19-11-23(32)31(3)24-20(19)10-17(12-29-24)25(27,22-13-28-14-30(22)2)16-5-7-18(26)8-6-16;1-15-4-9-21(33-15)19-11-24(32)31(3)20-12-29-22(10-18(19)20)25(27,23-13-28-14-30(23)2)16-5-7-17(26)8-6-16;1-15-4-10-20(33-15)18-12-23(32)31(3)19-9-11-21(29-24(18)19)25(27,22-13-28-14-30(22)2)16-5-7-17(26)8-6-16;1-15-4-9-21(33-15)19-11-23(32)31(3)24-20(19)10-17(12-29-24)25(27,22-13-28-14-30(22)2)16-5-7-18(26)8-6-16;1-15-4-9-21(33-15)19-11-24(32)31(3)20-12-29-22(10-18(19)20)25(27,23-13-28-14-30(23)2)16-5-7-17(26)8-6-16/h3*4-14H,1-3H3;3*4-14H,27H2,1-3H3/t6*25-/m111111/s1
InChIKeyZKLLBGPAHZALRE-NVJGGPJISA-N
XLogP30.68
TPSA394.32 Ų
H-Bond Donors3
H-Bond Acceptors39
Rotatable Bonds24
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002864.95
LogP ≤ 530.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1039

Analyze 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one with MolForge

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Related Compounds

6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one
CID 59334745
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one
CID 44590271
6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile
CID 59334748
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 46205251
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
3-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]benzonitrile
CID 46203632
4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
CID 159184749
6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one
CID 157485088
4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 59334673
6-[amino-(3-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;dimethylphosphorylmethane
CID 91416842
6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[3-[(E)-methoxyiminomethyl]phenyl]-1-methylquinolin-2-one
CID 20748851
4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 25259058

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one (CID 162145137) is 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one is Cc1ccc(-c2cc(=O)n(C)c3ccc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)nc23)s1.Cc1ccc(-c2cc(=O)n(C)c3ccc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)nc23)s1.Cc1ccc(-c2cc(=O)n(C)c3cnc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.Cc1ccc(-c2cc(=O)n(C)c3cnc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.Cc1ccc(-c2cc(=O)n(C)c3ncc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.Cc1ccc(-c2cc(=O)n(C)c3ncc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.
What is the InChIKey of 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one?
The InChIKey is ZKLLBGPAHZALRE-NVJGGPJISA-N. The full InChI is InChI=1S/3C25H20ClFN4OS.3C25H22ClN5OS/c1-15-4-10-20(33-15)18-12-23(32)31(3)19-9-11-21(29-24(18)19)25(27,22-13-28-14-30(22)2)16-5-7-17(26)8-6-16;1-15-4-9-21(33-15)19-11-23(32)31(3)24-20(19)10-17(12-29-24)25(27,22-13-28-14-30(22)2)16-5-7-18(26)8-6-16;1-15-4-9-21(33-15)19-11-24(32)31(3)20-12-29-22(10-18(19)20)25(27,23-13-28-14-30(23)2)16-5-7-17(26)8-6-16;1-15-4-10-20(33-15)18-12-23(32)31(3)19-9-11-21(29-24(18)19)25(27,22-13-28-14-30(22)2)16-5-7-17(26)8-6-16;1-15-4-9-21(33-15)19-11-23(32)31(3)24-20(19)10-17(12-29-24)25(27,22-13-28-14-30(22)2)16-5-7-18(26)8-6-16;1-15-4-9-21(33-15)19-11-24(32)31(3)20-12-29-22(10-18(19)20)25(27,23-13-28-14-30(23)2)16-5-7-17(26)8-6-16/h3*4-14H,1-3H3;3*4-14H,27H2,1-3H3/t6*25-/m111111/s1.
What are the key properties of 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one?
6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one has a molecular weight of 2864.95 g/mol, XLogP of 30.68, 24 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 162145137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).