4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile

C24H22N8O — CID 156596358

IUPAC4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile
SMILESCc1cc(-c2c(C)nn(C)c2C#N)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1
InChIInChI=1S/C24H22N8O/c1-15-11-18(22-16(2)29-31(4)20(22)12-25)6-7-19(15)23-27-28-24(33-23)30(3)13-17-5-8-21-26-9-10-32(21)14-17/h5-11,14H,13H2,1-4H3
InChIKeyLOJVVUQLHLHRMD-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.91
Rot. Bonds5

About 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile

4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile (PubChem CID 156596358) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile
PubChem CID156596358
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile
SMILESCc1cc(-c2c(C)nn(C)c2C#N)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1
InChIInChI=1S/C24H22N8O/c1-15-11-18(22-16(2)29-31(4)20(22)12-25)6-7-19(15)23-27-28-24(33-23)30(3)13-17-5-8-21-26-9-10-32(21)14-17/h5-11,14H,13H2,1-4H3
InChIKeyLOJVVUQLHLHRMD-UHFFFAOYSA-N
XLogP3.91
TPSA101.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile?
The IUPAC name of 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile (CID 156596358) is 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile.
What is the SMILES notation for 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile?
The canonical SMILES for 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile is Cc1cc(-c2c(C)nn(C)c2C#N)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1.
What is the InChIKey of 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile?
The InChIKey is LOJVVUQLHLHRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c1-15-11-18(22-16(2)29-31(4)20(22)12-25)6-7-19(15)23-27-28-24(33-23)30(3)13-17-5-8-21-26-9-10-32(21)14-17/h5-11,14H,13H2,1-4H3.
What are the key properties of 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile?
4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile has a molecular weight of 438.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile is sourced from PubChem (CID 156596358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).