2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine

C19H23ClN6 — CID 171334597

IUPAC2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1cn2cc(N3CCN(c4ncc(Cl)cn4)CC3)ccc2n1
InChIInChI=1S/C19H23ClN6/c1-19(2,3)16-13-26-12-15(4-5-17(26)23-16)24-6-8-25(9-7-24)18-21-10-14(20)11-22-18/h4-5,10-13H,6-9H2,1-3H3
InChIKeyPEOUBLSTWWEHQQ-UHFFFAOYSA-N
MW370.89 g/mol
LogP3.40
Rot. Bonds2

About 2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine

2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine (PubChem CID 171334597) has the molecular formula C19H23ClN6 and a molecular weight of 370.89 g/mol. Its IUPAC name is 2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
PubChem CID171334597
Molecular FormulaC19H23ClN6
Molecular Weight370.89 g/mol
Exact Mass370.17
IUPAC Name2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1cn2cc(N3CCN(c4ncc(Cl)cn4)CC3)ccc2n1
InChIInChI=1S/C19H23ClN6/c1-19(2,3)16-13-26-12-15(4-5-17(26)23-16)24-6-8-25(9-7-24)18-21-10-14(20)11-22-18/h4-5,10-13H,6-9H2,1-3H3
InChIKeyPEOUBLSTWWEHQQ-UHFFFAOYSA-N
XLogP3.40
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine (CID 171334597) is 2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine is CC(C)(C)c1cn2cc(N3CCN(c4ncc(Cl)cn4)CC3)ccc2n1.
What is the InChIKey of 2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is PEOUBLSTWWEHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6/c1-19(2,3)16-13-26-12-15(4-5-17(26)23-16)24-6-8-25(9-7-24)18-21-10-14(20)11-22-18/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of 2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine?
2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 370.89 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 171334597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).