2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile

C27H25N5O2 — CID 159095682

IUPAC2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile
SMILESCC(=O)Cc1ccc(-c2ccnc(-c3cn(C)c(=O)n3-c3ccc(C(C)(C)C#N)cc3)c2)cn1
InChIInChI=1S/C27H25N5O2/c1-18(33)13-22-8-5-20(15-30-22)19-11-12-29-24(14-19)25-16-31(4)26(34)32(25)23-9-6-21(7-10-23)27(2,3)17-28/h5-12,14-16H,13H2,1-4H3
InChIKeyKCQDFTJEECXQNF-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.23
Rot. Bonds6

About 2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile

2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile (PubChem CID 159095682) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile
PubChem CID159095682
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile
SMILESCC(=O)Cc1ccc(-c2ccnc(-c3cn(C)c(=O)n3-c3ccc(C(C)(C)C#N)cc3)c2)cn1
InChIInChI=1S/C27H25N5O2/c1-18(33)13-22-8-5-20(15-30-22)19-11-12-29-24(14-19)25-16-31(4)26(34)32(25)23-9-6-21(7-10-23)27(2,3)17-28/h5-12,14-16H,13H2,1-4H3
InChIKeyKCQDFTJEECXQNF-UHFFFAOYSA-N
XLogP4.23
TPSA93.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[4-[5-[4-[4-amino-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-2-oxoimidazol-1-yl]phenyl]-2-methylpropanenitrile
CID 51037576
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-[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
3-[4-[5-[4-[4-amino-3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-2-oxoimidazol-1-yl]phenyl]-2-methylpropanenitrile
CID 123961677
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-3-[4-(4-methylpiperazin-1-yl)phenyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]imidazol-2-one
CID 51035923
(E)-N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]but-2-enamide
CID 71554548
2-[4-[8-[6-[6-[1-[amino(methyl)amino]prop-1-en-2-yl]-3-pyridinyl]-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 123398932
2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
CID 11978438
2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile
CID 45254588
N-[5-[2-[1-methyl-2-oxo-3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyridinyl]-2-pyridinyl]methanesulfonamide
CID 149095359

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile (CID 159095682) is 2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile is CC(=O)Cc1ccc(-c2ccnc(-c3cn(C)c(=O)n3-c3ccc(C(C)(C)C#N)cc3)c2)cn1.
What is the InChIKey of 2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile?
The InChIKey is KCQDFTJEECXQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-18(33)13-22-8-5-20(15-30-22)19-11-12-29-24(14-19)25-16-31(4)26(34)32(25)23-9-6-21(7-10-23)27(2,3)17-28/h5-12,14-16H,13H2,1-4H3.
What are the key properties of 2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile?
2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile has a molecular weight of 451.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[3-methyl-2-oxo-5-[4-[6-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]imidazol-1-yl]phenyl]propanenitrile is sourced from PubChem (CID 159095682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).