2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine

C20H23ClN4O2 — CID 135281240

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCCNCC4)cc3n2)cc1Cl
InChIInChI=1S/C20H23ClN4O2/c1-26-18-12-19(27-2)16(21)11-15(18)17-13-25-8-4-14(10-20(25)23-17)24-7-3-5-22-6-9-24/h4,8,10-13,22H,3,5-7,9H2,1-2H3
InChIKeyYKBRTWHSMFSFFB-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.47
Rot. Bonds4

About 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine

2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine (PubChem CID 135281240) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
PubChem CID135281240
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCCNCC4)cc3n2)cc1Cl
InChIInChI=1S/C20H23ClN4O2/c1-26-18-12-19(27-2)16(21)11-15(18)17-13-25-8-4-14(10-20(25)23-17)24-7-3-5-22-6-9-24/h4,8,10-13,22H,3,5-7,9H2,1-2H3
InChIKeyYKBRTWHSMFSFFB-UHFFFAOYSA-N
XLogP3.47
TPSA51.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine (CID 135281240) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(N4CCCNCC4)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is YKBRTWHSMFSFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-26-18-12-19(27-2)16(21)11-15(18)17-13-25-8-4-14(10-20(25)23-17)24-7-3-5-22-6-9-24/h4,8,10-13,22H,3,5-7,9H2,1-2H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 386.88 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 135281240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).