4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride

C21H14ClN5 — CID 69248283

IUPAC4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride
SMILESCc1cc(-c2nc3nccc(-c4ccc(C#N)cc4)c3[nH]2)ccc1C#N.Cl
InChIInChI=1S/C21H13N5.ClH/c1-13-10-16(6-7-17(13)12-23)20-25-19-18(8-9-24-21(19)26-20)15-4-2-14(11-22)3-5-15;/h2-10H,1H3,(H,24,25,26);1H
InChIKeyFTSISRWRVSOCNT-UHFFFAOYSA-N
MW371.83 g/mol
LogP4.77
Rot. Bonds2

About 4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride

4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride (PubChem CID 69248283) has the molecular formula C21H14ClN5 and a molecular weight of 371.83 g/mol. Its IUPAC name is 4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride.

Molecular Properties

Compound Name4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride
PubChem CID69248283
Molecular FormulaC21H14ClN5
Molecular Weight371.83 g/mol
Exact Mass371.09
IUPAC Name4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride
SMILESCc1cc(-c2nc3nccc(-c4ccc(C#N)cc4)c3[nH]2)ccc1C#N.Cl
InChIInChI=1S/C21H13N5.ClH/c1-13-10-16(6-7-17(13)12-23)20-25-19-18(8-9-24-21(19)26-20)15-4-2-14(11-22)3-5-15;/h2-10H,1H3,(H,24,25,26);1H
InChIKeyFTSISRWRVSOCNT-UHFFFAOYSA-N
XLogP4.77
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride?
The IUPAC name of 4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride (CID 69248283) is 4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride.
What is the SMILES notation for 4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride?
The canonical SMILES for 4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride is Cc1cc(-c2nc3nccc(-c4ccc(C#N)cc4)c3[nH]2)ccc1C#N.Cl.
What is the InChIKey of 4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride?
The InChIKey is FTSISRWRVSOCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5.ClH/c1-13-10-16(6-7-17(13)12-23)20-25-19-18(8-9-24-21(19)26-20)15-4-2-14(11-22)3-5-15;/h2-10H,1H3,(H,24,25,26);1H.
What are the key properties of 4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride?
4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride has a molecular weight of 371.83 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-cyanophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylbenzonitrile;hydrochloride is sourced from PubChem (CID 69248283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).