tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate

C23H32N4O4 — CID 171564457

IUPACtert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate
SMILESCOc1cccn2c(C(C)(C)NC(=O)C3C4CC3CN(C(=O)OC(C)(C)C)C4)ncc12
InChIInChI=1S/C23H32N4O4/c1-22(2,3)31-21(29)26-12-14-10-15(13-26)18(14)19(28)25-23(4,5)20-24-11-16-17(30-6)8-7-9-27(16)20/h7-9,11,14-15,18H,10,12-13H2,1-6H3,(H,25,28)
InChIKeyYNUCAVRUZGNMCO-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.20
Rot. Bonds4

About tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate

tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate (PubChem CID 171564457) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate
PubChem CID171564457
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Nametert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate
SMILESCOc1cccn2c(C(C)(C)NC(=O)C3C4CC3CN(C(=O)OC(C)(C)C)C4)ncc12
InChIInChI=1S/C23H32N4O4/c1-22(2,3)31-21(29)26-12-14-10-15(13-26)18(14)19(28)25-23(4,5)20-24-11-16-17(30-6)8-7-9-27(16)20/h7-9,11,14-15,18H,10,12-13H2,1-6H3,(H,25,28)
InChIKeyYNUCAVRUZGNMCO-UHFFFAOYSA-N
XLogP3.20
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate with MolForge

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Related Compounds

tert-butyl 6-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123686398
N-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123181501
N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide
CID 171598112
N-[2-[8-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide
CID 171564415
tert-butyl 6-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123719543
tert-butyl 6-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123975122
N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123705917
tert-butyl (1R,5S)-6-[2-(1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-2-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166949784
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
(1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide
CID 171564426
tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate
CID 121346719
tert-butyl (3aS,6aR)-5-[(5-iodopyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 156511261

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate?
The IUPAC name of tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate (CID 171564457) is tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate.
What is the SMILES notation for tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate?
The canonical SMILES for tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate is COc1cccn2c(C(C)(C)NC(=O)C3C4CC3CN(C(=O)OC(C)(C)C)C4)ncc12.
What is the InChIKey of tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate?
The InChIKey is YNUCAVRUZGNMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-22(2,3)31-21(29)26-12-14-10-15(13-26)18(14)19(28)25-23(4,5)20-24-11-16-17(30-6)8-7-9-27(16)20/h7-9,11,14-15,18H,10,12-13H2,1-6H3,(H,25,28).
What are the key properties of tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate?
tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate has a molecular weight of 428.53 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate is sourced from PubChem (CID 171564457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).