8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine

C14H19ClN4 — CID 117147281

IUPAC8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine
SMILESCN1CCN(CCc2ncc3c(Cl)cccn23)CC1
InChIInChI=1S/C14H19ClN4/c1-17-7-9-18(10-8-17)6-4-14-16-11-13-12(15)3-2-5-19(13)14/h2-3,5,11H,4,6-10H2,1H3
InChIKeyDESKAYIEGRWTMK-UHFFFAOYSA-N
MW278.79 g/mol
LogP1.78
Rot. Bonds3

About 8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine

8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine (PubChem CID 117147281) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine
PubChem CID117147281
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine
SMILESCN1CCN(CCc2ncc3c(Cl)cccn23)CC1
InChIInChI=1S/C14H19ClN4/c1-17-7-9-18(10-8-17)6-4-14-16-11-13-12(15)3-2-5-19(13)14/h2-3,5,11H,4,6-10H2,1H3
InChIKeyDESKAYIEGRWTMK-UHFFFAOYSA-N
XLogP1.78
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine
CID 84744350
8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine
CID 117146417
8-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117146357
3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridin-5-ol
CID 117142355
3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140371
3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 67625625
2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889033
8-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117146338
1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270787
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 30075930
8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 117256804
methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 117147463

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine?
The IUPAC name of 8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine (CID 117147281) is 8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine is CN1CCN(CCc2ncc3c(Cl)cccn23)CC1.
What is the InChIKey of 8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine?
The InChIKey is DESKAYIEGRWTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-17-7-9-18(10-8-17)6-4-14-16-11-13-12(15)3-2-5-19(13)14/h2-3,5,11H,4,6-10H2,1H3.
What are the key properties of 8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine?
8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine has a molecular weight of 278.79 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 117147281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).