2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile

C26H23N7O — CID 51037784

IUPAC2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile
SMILESCc1nc2ncc(-c3ccnc(-c4cn(C)c(=O)n4-c4ccc(C(C)(C)C#N)cc4)c3)cc2[nH]1
InChIInChI=1S/C26H23N7O/c1-16-30-22-12-18(13-29-24(22)31-16)17-9-10-28-21(11-17)23-14-32(4)25(34)33(23)20-7-5-19(6-8-20)26(2,3)15-27/h5-14H,1-4H3,(H,29,30,31)
InChIKeyATRJLJXXHATEHA-UHFFFAOYSA-N
MW449.52 g/mol
LogP4.29
Rot. Bonds4

About 2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile

2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile (PubChem CID 51037784) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is 2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile
PubChem CID51037784
Molecular FormulaC26H23N7O
Molecular Weight449.52 g/mol
Exact Mass449.20
IUPAC Name2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile
SMILESCc1nc2ncc(-c3ccnc(-c4cn(C)c(=O)n4-c4ccc(C(C)(C)C#N)cc4)c3)cc2[nH]1
InChIInChI=1S/C26H23N7O/c1-16-30-22-12-18(13-29-24(22)31-16)17-9-10-28-21(11-17)23-14-32(4)25(34)33(23)20-7-5-19(6-8-20)26(2,3)15-27/h5-14H,1-4H3,(H,29,30,31)
InChIKeyATRJLJXXHATEHA-UHFFFAOYSA-N
XLogP4.29
TPSA105.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile
CID 159095682
2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile
CID 159455236
2-[4-[5-[4-[4-amino-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-2-oxoimidazol-1-yl]phenyl]-2-methylpropanenitrile
CID 51037576
1-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one
CID 51035923
2-[4-[3-methyl-2-oxo-5-[4-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]imidazol-1-yl]phenyl]butanenitrile
CID 123622101
5-[5-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-3-methyl-2-oxoimidazol-1-yl]-2-(4-methylpiperazin-1-yl)benzonitrile
CID 51037166
1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-(3-phenoxyphenyl)imidazol-2-one
CID 158933491
1-methyl-4-[4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]imidazol-2-one
CID 146989543
2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile
CID 45254588
3-[4-[5-[4-[4-amino-3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-2-oxoimidazol-1-yl]phenyl]-2-methylpropanenitrile
CID 123961677
4-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-1-methyl-3-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazol-2-one
CID 51036135
2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
CID 45254777

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile (CID 51037784) is 2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile is Cc1nc2ncc(-c3ccnc(-c4cn(C)c(=O)n4-c4ccc(C(C)(C)C#N)cc4)c3)cc2[nH]1.
What is the InChIKey of 2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile?
The InChIKey is ATRJLJXXHATEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O/c1-16-30-22-12-18(13-29-24(22)31-16)17-9-10-28-21(11-17)23-14-32(4)25(34)33(23)20-7-5-19(6-8-20)26(2,3)15-27/h5-14H,1-4H3,(H,29,30,31).
What are the key properties of 2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile?
2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile has a molecular weight of 449.52 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[3-methyl-5-[4-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2-pyridinyl]-2-oxoimidazol-1-yl]phenyl]propanenitrile is sourced from PubChem (CID 51037784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).