tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol

C43H50N6O6 — CID 158996051

IUPACtert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol
SMILESC[C@@H]1C[C@H](Oc2cc(-c3ccc(O)cc3)cn3cncc23)CCN1.C[C@@H]1C[C@H](Oc2cc(-c3ccc(O)cc3)cn3cncc23)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H29N3O4.C19H21N3O2/c1-16-11-20(9-10-27(16)23(29)31-24(2,3)4)30-22-12-18(14-26-15-25-13-21(22)26)17-5-7-19(28)8-6-17;1-13-8-17(6-7-21-13)24-19-9-15(11-22-12-20-10-18(19)22)14-2-4-16(23)5-3-14/h5-8,12-16,20,28H,9-11H2,1-4H3;2-5,9-13,17,21,23H,6-8H2,1H3/t16-,20-;13-,17-/m11/s1
InChIKeyJQTFQPCPLBGFJC-KAHZQPOGSA-N
MW746.91 g/mol
LogP8.10
Rot. Bonds6

About tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol

tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol (PubChem CID 158996051) has the molecular formula C43H50N6O6 and a molecular weight of 746.91 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol
PubChem CID158996051
Molecular FormulaC43H50N6O6
Molecular Weight746.91 g/mol
Exact Mass746.38
IUPAC Nametert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol
SMILESC[C@@H]1C[C@H](Oc2cc(-c3ccc(O)cc3)cn3cncc23)CCN1.C[C@@H]1C[C@H](Oc2cc(-c3ccc(O)cc3)cn3cncc23)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H29N3O4.C19H21N3O2/c1-16-11-20(9-10-27(16)23(29)31-24(2,3)4)30-22-12-18(14-26-15-25-13-21(22)26)17-5-7-19(28)8-6-17;1-13-8-17(6-7-21-13)24-19-9-15(11-22-12-20-10-18(19)22)14-2-4-16(23)5-3-14/h5-8,12-16,20,28H,9-11H2,1-4H3;2-5,9-13,17,21,23H,6-8H2,1H3/t16-,20-;13-,17-/m11/s1
InChIKeyJQTFQPCPLBGFJC-KAHZQPOGSA-N
XLogP8.10
TPSA135.09 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500746.91
LogP ≤ 58.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol?
The IUPAC name of tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol (CID 158996051) is tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol.
What is the SMILES notation for tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol?
The canonical SMILES for tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol is C[C@@H]1C[C@H](Oc2cc(-c3ccc(O)cc3)cn3cncc23)CCN1.C[C@@H]1C[C@H](Oc2cc(-c3ccc(O)cc3)cn3cncc23)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol?
The InChIKey is JQTFQPCPLBGFJC-KAHZQPOGSA-N. The full InChI is InChI=1S/C24H29N3O4.C19H21N3O2/c1-16-11-20(9-10-27(16)23(29)31-24(2,3)4)30-22-12-18(14-26-15-25-13-21(22)26)17-5-7-19(28)8-6-17;1-13-8-17(6-7-21-13)24-19-9-15(11-22-12-20-10-18(19)22)14-2-4-16(23)5-3-14/h5-8,12-16,20,28H,9-11H2,1-4H3;2-5,9-13,17,21,23H,6-8H2,1H3/t16-,20-;13-,17-/m11/s1.
What are the key properties of tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol?
tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol has a molecular weight of 746.91 g/mol, XLogP of 8.10, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxy-2-methylpiperidine-1-carboxylate;4-[8-[(2R,4R)-2-methylpiperidin-4-yl]oxyimidazo[1,5-a]pyridin-6-yl]phenol is sourced from PubChem (CID 158996051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).