5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile

C23H18F2N6O2 — CID 153495941

IUPAC5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cncc(C#N)c2)cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C23H18F2N6O2/c1-31-21(32)23(30-22(31)27,16-3-4-29-19(9-16)20(24)25)17-6-14(7-18(8-17)33-2)15-5-13(10-26)11-28-12-15/h3-9,11-12,20H,1-2H3,(H2,27,30)
InChIKeyXRNIFARYBHOQPX-UHFFFAOYSA-N
MW448.43 g/mol
LogP2.99
Rot. Bonds5

About 5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile

5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile (PubChem CID 153495941) has the molecular formula C23H18F2N6O2 and a molecular weight of 448.43 g/mol. Its IUPAC name is 5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile
PubChem CID153495941
Molecular FormulaC23H18F2N6O2
Molecular Weight448.43 g/mol
Exact Mass448.15
IUPAC Name5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cncc(C#N)c2)cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C23H18F2N6O2/c1-31-21(32)23(30-22(31)27,16-3-4-29-19(9-16)20(24)25)17-6-14(7-18(8-17)33-2)15-5-13(10-26)11-28-12-15/h3-9,11-12,20H,1-2H3,(H2,27,30)
InChIKeyXRNIFARYBHOQPX-UHFFFAOYSA-N
XLogP2.99
TPSA117.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-(3-butoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11510567
2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11516577
2-amino-4-(4-methoxy-3-(trifluoromethyl)phenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11532248
2-amino-4-(3-isopropoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11539235
4-(2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-2-(pyridin-3-yl)benzonitrile
CID 11560610
2-amino-4-(3,4-dimethoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11589453
2-amino-4-(3-ethoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11611402
2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11632510
5-(2-amino-1-methyl-5-oxo-4-(3-(pyridin-3-yl)phenyl)-4,5-dihydro-1H-imidazol-4-yl)-2-methoxybenzonitrile
CID 11639859
2-amino-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11654224
2-amino-4-(4-methoxy-3-propoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11654876
2-Amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one
CID 15951486

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile (CID 153495941) is 5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile is COc1cc(-c2cncc(C#N)c2)cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile?
The InChIKey is XRNIFARYBHOQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6O2/c1-31-21(32)23(30-22(31)27,16-3-4-29-19(9-16)20(24)25)17-6-14(7-18(8-17)33-2)15-5-13(10-26)11-28-12-15/h3-9,11-12,20H,1-2H3,(H2,27,30).
What are the key properties of 5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile?
5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile has a molecular weight of 448.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 153495941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).