7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile

C21H25N7 — CID 46227790

IUPAC7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile
SMILESCCCc1cnc2c(C#N)c(N3CCN(c4nc(C)cc(C)n4)CC3)ccn12
InChIInChI=1S/C21H25N7/c1-4-5-17-14-23-20-18(13-22)19(6-7-28(17)20)26-8-10-27(11-9-26)21-24-15(2)12-16(3)25-21/h6-7,12,14H,4-5,8-11H2,1-3H3
InChIKeyVYPMOKKHRKTQPQ-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.89
Rot. Bonds4

About 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile

7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 46227790) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID46227790
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile
SMILESCCCc1cnc2c(C#N)c(N3CCN(c4nc(C)cc(C)n4)CC3)ccn12
InChIInChI=1S/C21H25N7/c1-4-5-17-14-23-20-18(13-22)19(6-7-28(17)20)26-8-10-27(11-9-26)21-24-15(2)12-16(3)25-21/h6-7,12,14H,4-5,8-11H2,1-3H3
InChIKeyVYPMOKKHRKTQPQ-UHFFFAOYSA-N
XLogP2.89
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile (CID 46227790) is 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile is CCCc1cnc2c(C#N)c(N3CCN(c4nc(C)cc(C)n4)CC3)ccn12.
What is the InChIKey of 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is VYPMOKKHRKTQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-4-5-17-14-23-20-18(13-22)19(6-7-28(17)20)26-8-10-27(11-9-26)21-24-15(2)12-16(3)25-21/h6-7,12,14H,4-5,8-11H2,1-3H3.
What are the key properties of 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile?
7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 375.48 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-propylimidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 46227790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).