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2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile

C18H16F3N5 — CID 171789668

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile
SMILESCc1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C18H16F3N5/c1-10-5-11(17(2,3)9-22)7-23-14(10)16-25-13-6-12(18(19,20)21)8-24-15(13)26(16)4/h5-8H,1-4H3
InChIKeyOWMQTGPPYSLSEI-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.16
Rot. Bonds2

About 2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile

2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile (PubChem CID 171789668) has the molecular formula C18H16F3N5 and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile
PubChem CID171789668
Molecular FormulaC18H16F3N5
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile
SMILESCc1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C18H16F3N5/c1-10-5-11(17(2,3)9-22)7-23-14(10)16-25-13-6-12(18(19,20)21)8-24-15(13)26(16)4/h5-8H,1-4H3
InChIKeyOWMQTGPPYSLSEI-UHFFFAOYSA-N
XLogP4.16
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile?
The IUPAC name of 2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile (CID 171789668) is 2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile is Cc1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile?
The InChIKey is OWMQTGPPYSLSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5/c1-10-5-11(17(2,3)9-22)7-23-14(10)16-25-13-6-12(18(19,20)21)8-24-15(13)26(16)4/h5-8H,1-4H3.
What are the key properties of 2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile?
2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile has a molecular weight of 359.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile is sourced from PubChem (CID 171789668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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