6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile

C26H19F2N5O2 — CID 10116169

IUPAC6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1cncc1C(OCc1c(-c2cc(F)cc(F)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1
InChIInChI=1S/C26H19F2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-22(9-19(12-30)26(34)33(24)2)18-7-20(27)10-21(28)8-18/h3-10,13,15,25H,14H2,1-2H3
InChIKeyXIPVCWJXWJDNCA-UHFFFAOYSA-N
MW471.47 g/mol
LogP4.11
Rot. Bonds6

About 6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile

6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 10116169) has the molecular formula C26H19F2N5O2 and a molecular weight of 471.47 g/mol. Its IUPAC name is 6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
PubChem CID10116169
Molecular FormulaC26H19F2N5O2
Molecular Weight471.47 g/mol
Exact Mass471.15
IUPAC Name6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1cncc1C(OCc1c(-c2cc(F)cc(F)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1
InChIInChI=1S/C26H19F2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-22(9-19(12-30)26(34)33(24)2)18-7-20(27)10-21(28)8-18/h3-10,13,15,25H,14H2,1-2H3
InChIKeyXIPVCWJXWJDNCA-UHFFFAOYSA-N
XLogP4.11
TPSA96.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile (CID 10116169) is 6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile is Cn1cncc1C(OCc1c(-c2cc(F)cc(F)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1.
What is the InChIKey of 6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is XIPVCWJXWJDNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-22(9-19(12-30)26(34)33(24)2)18-7-20(27)10-21(28)8-18/h3-10,13,15,25H,14H2,1-2H3.
What are the key properties of 6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 471.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-5-(3,5-difluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 10116169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).