tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol

C43H50N6O6 — CID 158264495

IUPACtert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol
SMILESCC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(O)cc3)cn3cncc23)CC1.Oc1ccc(-c2cc(OCC3CCNCC3)c3cncn3c2)cc1
InChIInChI=1S/C24H29N3O4.C19H21N3O2/c1-24(2,3)31-23(29)26-10-8-17(9-11-26)15-30-22-12-19(14-27-16-25-13-21(22)27)18-4-6-20(28)7-5-18;23-17-3-1-15(2-4-17)16-9-19(18-10-21-13-22(18)11-16)24-12-14-5-7-20-8-6-14/h4-7,12-14,16-17,28H,8-11,15H2,1-3H3;1-4,9-11,13-14,20,23H,5-8,12H2
InChIKeyGIGQBEUMVFRLBF-UHFFFAOYSA-N
MW746.91 g/mol
LogP7.82
Rot. Bonds8

About tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol

tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol (PubChem CID 158264495) has the molecular formula C43H50N6O6 and a molecular weight of 746.91 g/mol. Its IUPAC name is tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol.

Molecular Properties

Compound Nametert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol
PubChem CID158264495
Molecular FormulaC43H50N6O6
Molecular Weight746.91 g/mol
Exact Mass746.38
IUPAC Nametert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol
SMILESCC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(O)cc3)cn3cncc23)CC1.Oc1ccc(-c2cc(OCC3CCNCC3)c3cncn3c2)cc1
InChIInChI=1S/C24H29N3O4.C19H21N3O2/c1-24(2,3)31-23(29)26-10-8-17(9-11-26)15-30-22-12-19(14-27-16-25-13-21(22)27)18-4-6-20(28)7-5-18;23-17-3-1-15(2-4-17)16-9-19(18-10-21-13-22(18)11-16)24-12-14-5-7-20-8-6-14/h4-7,12-14,16-17,28H,8-11,15H2,1-3H3;1-4,9-11,13-14,20,23H,5-8,12H2
InChIKeyGIGQBEUMVFRLBF-UHFFFAOYSA-N
XLogP7.82
TPSA135.09 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500746.91
LogP ≤ 57.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol?
The IUPAC name of tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol (CID 158264495) is tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol.
What is the SMILES notation for tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol?
The canonical SMILES for tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol is CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(O)cc3)cn3cncc23)CC1.Oc1ccc(-c2cc(OCC3CCNCC3)c3cncn3c2)cc1.
What is the InChIKey of tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol?
The InChIKey is GIGQBEUMVFRLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4.C19H21N3O2/c1-24(2,3)31-23(29)26-10-8-17(9-11-26)15-30-22-12-19(14-27-16-25-13-21(22)27)18-4-6-20(28)7-5-18;23-17-3-1-15(2-4-17)16-9-19(18-10-21-13-22(18)11-16)24-12-14-5-7-20-8-6-14/h4-7,12-14,16-17,28H,8-11,15H2,1-3H3;1-4,9-11,13-14,20,23H,5-8,12H2.
What are the key properties of tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol?
tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol has a molecular weight of 746.91 g/mol, XLogP of 7.82, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate;4-[8-(piperidin-4-ylmethoxy)imidazo[1,5-a]pyridin-6-yl]phenol is sourced from PubChem (CID 158264495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).