6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile

C22H25N5 — CID 23151636

IUPAC6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile
SMILESCc1c(Cc2ccccc2)c(N2CCCC2N(C)C)n2ccnc2c1C#N
InChIInChI=1S/C22H25N5/c1-16-18(14-17-8-5-4-6-9-17)22(26-12-7-10-20(26)25(2)3)27-13-11-24-21(27)19(16)15-23/h4-6,8-9,11,13,20H,7,10,12,14H2,1-3H3
InChIKeyGLEROWVYDMDMFZ-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.59
Rot. Bonds4

About 6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile

6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 23151636) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID23151636
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile
SMILESCc1c(Cc2ccccc2)c(N2CCCC2N(C)C)n2ccnc2c1C#N
InChIInChI=1S/C22H25N5/c1-16-18(14-17-8-5-4-6-9-17)22(26-12-7-10-20(26)25(2)3)27-13-11-24-21(27)19(16)15-23/h4-6,8-9,11,13,20H,7,10,12,14H2,1-3H3
InChIKeyGLEROWVYDMDMFZ-UHFFFAOYSA-N
XLogP3.59
TPSA47.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile (CID 23151636) is 6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile is Cc1c(Cc2ccccc2)c(N2CCCC2N(C)C)n2ccnc2c1C#N.
What is the InChIKey of 6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is GLEROWVYDMDMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-16-18(14-17-8-5-4-6-9-17)22(26-12-7-10-20(26)25(2)3)27-13-11-24-21(27)19(16)15-23/h4-6,8-9,11,13,20H,7,10,12,14H2,1-3H3.
What are the key properties of 6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile?
6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 359.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 23151636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).