2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile

C21H23N5 — CID 170886315

IUPAC2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile
SMILESCc1cccn2c(CN3CCNCC3)c(-c3ccc(CC#N)cc3)nc12
InChIInChI=1S/C21H23N5/c1-16-3-2-12-26-19(15-25-13-10-23-11-14-25)20(24-21(16)26)18-6-4-17(5-7-18)8-9-22/h2-7,12,23H,8,10-11,13-15H2,1H3
InChIKeyYTCPAZRFGCTGMF-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.78
Rot. Bonds4

About 2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile

2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile (PubChem CID 170886315) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile
PubChem CID170886315
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile
SMILESCc1cccn2c(CN3CCNCC3)c(-c3ccc(CC#N)cc3)nc12
InChIInChI=1S/C21H23N5/c1-16-3-2-12-26-19(15-25-13-10-23-11-14-25)20(24-21(16)26)18-6-4-17(5-7-18)8-9-22/h2-7,12,23H,8,10-11,13-15H2,1H3
InChIKeyYTCPAZRFGCTGMF-UHFFFAOYSA-N
XLogP2.78
TPSA56.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile?
The IUPAC name of 2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile (CID 170886315) is 2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile is Cc1cccn2c(CN3CCNCC3)c(-c3ccc(CC#N)cc3)nc12.
What is the InChIKey of 2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile?
The InChIKey is YTCPAZRFGCTGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-16-3-2-12-26-19(15-25-13-10-23-11-14-25)20(24-21(16)26)18-6-4-17(5-7-18)8-9-22/h2-7,12,23H,8,10-11,13-15H2,1H3.
What are the key properties of 2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile?
2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile has a molecular weight of 345.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile is sourced from PubChem (CID 170886315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).