tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C23H33N3O4 — CID 123680836

IUPACtert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(COc1ncccc1C1CC1)NC(=O)C1C2CN(C(=O)OC(C)(C)C)CC21
InChIInChI=1S/C23H33N3O4/c1-22(2,3)30-21(28)26-11-16-17(12-26)18(16)19(27)25-23(4,5)13-29-20-15(14-8-9-14)7-6-10-24-20/h6-7,10,14,16-18H,8-9,11-13H2,1-5H3,(H,25,27)
InChIKeyNTLWXLCSTCOETB-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.35
Rot. Bonds6

About tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 123680836) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID123680836
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Nametert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(COc1ncccc1C1CC1)NC(=O)C1C2CN(C(=O)OC(C)(C)C)CC21
InChIInChI=1S/C23H33N3O4/c1-22(2,3)30-21(28)26-11-16-17(12-26)18(16)19(27)25-23(4,5)13-29-20-15(14-8-9-14)7-6-10-24-20/h6-7,10,14,16-18H,8-9,11-13H2,1-5H3,(H,25,27)
InChIKeyNTLWXLCSTCOETB-UHFFFAOYSA-N
XLogP3.35
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 6-[[2-methyl-1-(4-methylpyridazin-3-yl)oxypropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123344093
tert-butyl 6-[[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123208495
tert-butyl 6-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123975122
tert-butyl (3S,4R)-3-[[2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]-4-methylpyrrolidine-1-carboxylate
CID 146402323
tert-butyl 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-1-carboxylate
CID 59374012
tert-butyl 4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylate
CID 143825057
tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 59406986
tert-butyl (3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 124585586
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 (1S,5R)-6-(2-quinazolin-5-ylpropan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 134392756
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
tert-butyl (5S)-6-[2-(1,2-benzoxazol-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 134398383

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 123680836) is tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(COc1ncccc1C1CC1)NC(=O)C1C2CN(C(=O)OC(C)(C)C)CC21.
What is the InChIKey of tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is NTLWXLCSTCOETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-22(2,3)30-21(28)26-11-16-17(12-26)18(16)19(27)25-23(4,5)13-29-20-15(14-8-9-14)7-6-10-24-20/h6-7,10,14,16-18H,8-9,11-13H2,1-5H3,(H,25,27).
What are the key properties of tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 123680836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).