tert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate

C19H24ClN3O3 — CID 154696890

IUPACtert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC(O)(c3cc(Cl)cn4cncc34)CC2C1
InChIInChI=1S/C19H24ClN3O3/c1-18(2,3)26-17(24)22-8-12-5-19(25,6-13(12)9-22)15-4-14(20)10-23-11-21-7-16(15)23/h4,7,10-13,25H,5-6,8-9H2,1-3H3
InChIKeyZSCUIJFOQLFABA-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.45
Rot. Bonds1

About tert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate

tert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate (PubChem CID 154696890) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is tert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
PubChem CID154696890
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Nametert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC(O)(c3cc(Cl)cn4cncc34)CC2C1
InChIInChI=1S/C19H24ClN3O3/c1-18(2,3)26-17(24)22-8-12-5-19(25,6-13(12)9-22)15-4-14(20)10-23-11-21-7-16(15)23/h4,7,10-13,25H,5-6,8-9H2,1-3H3
InChIKeyZSCUIJFOQLFABA-UHFFFAOYSA-N
XLogP3.45
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate?
The IUPAC name of tert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate (CID 154696890) is tert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate.
What is the SMILES notation for tert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate?
The canonical SMILES for tert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate is CC(C)(C)OC(=O)N1CC2CC(O)(c3cc(Cl)cn4cncc34)CC2C1.
What is the InChIKey of tert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate?
The InChIKey is ZSCUIJFOQLFABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-18(2,3)26-17(24)22-8-12-5-19(25,6-13(12)9-22)15-4-14(20)10-23-11-21-7-16(15)23/h4,7,10-13,25H,5-6,8-9H2,1-3H3.
What are the key properties of tert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate?
tert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate has a molecular weight of 377.87 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(6-chloroimidazo[1,5-a]pyridin-8-yl)-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate is sourced from PubChem (CID 154696890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).