1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine

C30H32ClN3O5 — CID 11432810

IUPAC1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine
SMILESCOc1cc(CCN2CCC(c3nc(-c4ccc5c(c4)OCO5)c4cc(Cl)ccn34)CC2)cc(OC)c1OC
InChIInChI=1S/C30H32ClN3O5/c1-35-26-14-19(15-27(36-2)29(26)37-3)6-10-33-11-7-20(8-12-33)30-32-28(23-17-22(31)9-13-34(23)30)21-4-5-24-25(16-21)39-18-38-24/h4-5,9,13-17,20H,6-8,10-12,18H2,1-3H3
InChIKeyWZYKVBWYGLJEIG-UHFFFAOYSA-N
MW550.06 g/mol
LogP5.83
Rot. Bonds8

About 1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine

1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine (PubChem CID 11432810) has the molecular formula C30H32ClN3O5 and a molecular weight of 550.06 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine
PubChem CID11432810
Molecular FormulaC30H32ClN3O5
Molecular Weight550.06 g/mol
Exact Mass549.20
IUPAC Name1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine
SMILESCOc1cc(CCN2CCC(c3nc(-c4ccc5c(c4)OCO5)c4cc(Cl)ccn34)CC2)cc(OC)c1OC
InChIInChI=1S/C30H32ClN3O5/c1-35-26-14-19(15-27(36-2)29(26)37-3)6-10-33-11-7-20(8-12-33)30-32-28(23-17-22(31)9-13-34(23)30)21-4-5-24-25(16-21)39-18-38-24/h4-5,9,13-17,20H,6-8,10-12,18H2,1-3H3
InChIKeyWZYKVBWYGLJEIG-UHFFFAOYSA-N
XLogP5.83
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.06
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine (CID 11432810) is 1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine is COc1cc(CCN2CCC(c3nc(-c4ccc5c(c4)OCO5)c4cc(Cl)ccn34)CC2)cc(OC)c1OC.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine?
The InChIKey is WZYKVBWYGLJEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN3O5/c1-35-26-14-19(15-27(36-2)29(26)37-3)6-10-33-11-7-20(8-12-33)30-32-28(23-17-22(31)9-13-34(23)30)21-4-5-24-25(16-21)39-18-38-24/h4-5,9,13-17,20H,6-8,10-12,18H2,1-3H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine?
1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine has a molecular weight of 550.06 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-7-chloro-3-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 11432810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).