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

C25H20ClFN6O — CID 59334740

IUPAC6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
SMILESCn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(F)n1)cc(=O)n2C
InChIInChI=1S/C25H20ClFN6O/c1-32-14-29-13-21(32)25(28,15-6-8-17(26)9-7-15)16-10-19-18(20-4-3-5-22(27)31-20)11-23(34)33(2)24(19)30-12-16/h3-14H,28H2,1-2H3/t25-/m1/s1
InChIKeyYXVUFJPYAHXART-RUZDIDTESA-N
MW474.93 g/mol
LogP3.77
Rot. Bonds4

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

6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one (PubChem CID 59334740) has the molecular formula C25H20ClFN6O and a molecular weight of 474.93 g/mol. Its IUPAC name is 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
PubChem CID59334740
Molecular FormulaC25H20ClFN6O
Molecular Weight474.93 g/mol
Exact Mass474.14
IUPAC Name6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
SMILESCn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(F)n1)cc(=O)n2C
InChIInChI=1S/C25H20ClFN6O/c1-32-14-29-13-21(32)25(28,15-6-8-17(26)9-7-15)16-10-19-18(20-4-3-5-22(27)31-20)11-23(34)33(2)24(19)30-12-16/h3-14H,28H2,1-2H3/t25-/m1/s1
InChIKeyYXVUFJPYAHXART-RUZDIDTESA-N
XLogP3.77
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.93
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one (CID 59334740) is 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one is Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(F)n1)cc(=O)n2C.
What is the InChIKey of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
The InChIKey is YXVUFJPYAHXART-RUZDIDTESA-N. The full InChI is InChI=1S/C25H20ClFN6O/c1-32-14-29-13-21(32)25(28,15-6-8-17(26)9-7-15)16-10-19-18(20-4-3-5-22(27)31-20)11-23(34)33(2)24(19)30-12-16/h3-14H,28H2,1-2H3/t25-/m1/s1.
What are the key properties of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 474.93 g/mol, XLogP of 3.77, 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]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 59334740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).