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

C25H19ClFN5O2 — CID 59334718

IUPAC6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
SMILESCn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(F)n1)cc(=O)n2C
InChIInChI=1S/C25H19ClFN5O2/c1-31-14-28-13-21(31)25(34,15-6-8-17(26)9-7-15)16-10-19-18(20-4-3-5-22(27)30-20)11-23(33)32(2)24(19)29-12-16/h3-14,34H,1-2H3/t25-/m1/s1
InChIKeyWGNZADRNVZAVGI-RUZDIDTESA-N
MW475.91 g/mol
LogP3.81
Rot. Bonds4

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

6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one (PubChem CID 59334718) has the molecular formula C25H19ClFN5O2 and a molecular weight of 475.91 g/mol. Its IUPAC name is 6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
PubChem CID59334718
Molecular FormulaC25H19ClFN5O2
Molecular Weight475.91 g/mol
Exact Mass475.12
IUPAC Name6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
SMILESCn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(F)n1)cc(=O)n2C
InChIInChI=1S/C25H19ClFN5O2/c1-31-14-28-13-21(31)25(34,15-6-8-17(26)9-7-15)16-10-19-18(20-4-3-5-22(27)30-20)11-23(33)32(2)24(19)29-12-16/h3-14,34H,1-2H3/t25-/m1/s1
InChIKeyWGNZADRNVZAVGI-RUZDIDTESA-N
XLogP3.81
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.91
LogP ≤ 53.81
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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Related Compounds

CID 46208720
CID 46208720
CID 44593866
CID 44593866
CID 59122512
CID 59122512
CID 59122517
CID 59122517
CID 59122524
CID 59122524
CID 59122530
CID 59122530
CID 59122532
CID 59122532
CID 59122534
CID 59122534
CID 59122535
CID 59122535
CID 59122545
CID 59122545
CID 46232038
CID 46232038
CID 46232039
CID 46232039

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one (CID 59334718) is 6-[(R)-(4-chlorophenyl)-hydroxy-(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)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one is Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(F)n1)cc(=O)n2C.
What is the InChIKey of 6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
The InChIKey is WGNZADRNVZAVGI-RUZDIDTESA-N. The full InChI is InChI=1S/C25H19ClFN5O2/c1-31-14-28-13-21(31)25(34,15-6-8-17(26)9-7-15)16-10-19-18(20-4-3-5-22(27)30-20)11-23(33)32(2)24(19)29-12-16/h3-14,34H,1-2H3/t25-/m1/s1.
What are the key properties of 6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one?
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 475.91 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-fluoro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 59334718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).