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

C25H22ClN5OS — CID 59334745

IUPAC6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2cc(=O)n(C)c3ncc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1
InChIInChI=1S/C25H22ClN5OS/c1-15-4-9-21(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/h4-14H,27H2,1-3H3/t25-/m1/s1
InChIKeyXURTWFSPNSQJHG-RUZDIDTESA-N
MW476.01 g/mol
LogP4.61
Rot. Bonds4

About 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-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 (PubChem CID 59334745) has the molecular formula C25H22ClN5OS and a molecular weight of 476.01 g/mol. Its IUPAC name is 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one
PubChem CID59334745
Molecular FormulaC25H22ClN5OS
Molecular Weight476.01 g/mol
Exact Mass475.12
IUPAC Name6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2cc(=O)n(C)c3ncc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1
InChIInChI=1S/C25H22ClN5OS/c1-15-4-9-21(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/h4-14H,27H2,1-3H3/t25-/m1/s1
InChIKeyXURTWFSPNSQJHG-RUZDIDTESA-N
XLogP4.61
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.01
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one (CID 59334745) is 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one is Cc1ccc(-c2cc(=O)n(C)c3ncc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.
What is the InChIKey of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one?
The InChIKey is XURTWFSPNSQJHG-RUZDIDTESA-N. The full InChI is InChI=1S/C25H22ClN5OS/c1-15-4-9-21(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/h4-14H,27H2,1-3H3/t25-/m1/s1.
What are the key properties of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-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 has a molecular weight of 476.01 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 59334745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).