tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C24H35N3O4 — CID 176893804

IUPACtert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2C(C1)C2Oc1cc(C(C)(C)N)cc(OCC23CC(C2)C3)n1
InChIInChI=1S/C24H35N3O4/c1-22(2,3)31-21(28)27-11-16-17(12-27)20(16)30-19-7-15(23(4,5)25)6-18(26-19)29-13-24-8-14(9-24)10-24/h6-7,14,16-17,20H,8-13,25H2,1-5H3
InChIKeyRBLGWYWCDQNFQN-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.70
Rot. Bonds6

About tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 176893804) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID176893804
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Nametert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2C(C1)C2Oc1cc(C(C)(C)N)cc(OCC23CC(C2)C3)n1
InChIInChI=1S/C24H35N3O4/c1-22(2,3)31-21(28)27-11-16-17(12-27)20(16)30-19-7-15(23(4,5)25)6-18(26-19)29-13-24-8-14(9-24)10-24/h6-7,14,16-17,20H,8-13,25H2,1-5H3
InChIKeyRBLGWYWCDQNFQN-UHFFFAOYSA-N
XLogP3.70
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Related Compounds

tert-butyl (1S,5R)-6-[[6-(1-methylcyclopentyl)-4-[2-(phenylmethoxycarbonylamino)propan-2-yl]-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 175958852
tert-butyl 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 146380661
tert-butyl 1-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166105257
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 6-[[6-(4-fluorophenyl)-4-(1-methoxy-1-oxopropan-2-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 176893798
[6-[[4-(2-aminopropan-2-yl)-6-[(4-fluorophenyl)methyl]-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 170521322
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 18771787
tert-butyl (1R,5S)-6-ethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 164877871
tert-butyl (1S,5R)-6-(2-ethoxy-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 175863008
tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate
CID 155943867
tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate
CID 152975023

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 176893804) is tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)OC(=O)N1CC2C(C1)C2Oc1cc(C(C)(C)N)cc(OCC23CC(C2)C3)n1.
What is the InChIKey of tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is RBLGWYWCDQNFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-22(2,3)31-21(28)27-11-16-17(12-27)20(16)30-19-7-15(23(4,5)25)6-18(26-19)29-13-24-8-14(9-24)10-24/h6-7,14,16-17,20H,8-13,25H2,1-5H3.
What are the key properties of tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 429.56 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[4-(2-aminopropan-2-yl)-6-(1-bicyclo[1.1.1]pentanylmethoxy)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 176893804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).