tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate

C18H24FN5O4 — CID 164938354

IUPACtert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate
SMILESCOc1cncc(OCC2(F)CN(C(=O)OC(C)(C)C)C2)c1-c1cc(N)n[nH]1
InChIInChI=1S/C18H24FN5O4/c1-17(2,3)28-16(25)24-8-18(19,9-24)10-27-13-7-21-6-12(26-4)15(13)11-5-14(20)23-22-11/h5-7H,8-10H2,1-4H3,(H3,20,22,23)
InChIKeyCXDMTSBLMYAMRF-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.40
Rot. Bonds5

About tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate

tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate (PubChem CID 164938354) has the molecular formula C18H24FN5O4 and a molecular weight of 393.42 g/mol. Its IUPAC name is tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate
PubChem CID164938354
Molecular FormulaC18H24FN5O4
Molecular Weight393.42 g/mol
Exact Mass393.18
IUPAC Nametert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate
SMILESCOc1cncc(OCC2(F)CN(C(=O)OC(C)(C)C)C2)c1-c1cc(N)n[nH]1
InChIInChI=1S/C18H24FN5O4/c1-17(2,3)28-16(25)24-8-18(19,9-24)10-27-13-7-21-6-12(26-4)15(13)11-5-14(20)23-22-11/h5-7H,8-10H2,1-4H3,(H3,20,22,23)
InChIKeyCXDMTSBLMYAMRF-UHFFFAOYSA-N
XLogP2.40
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-(difluoromethyl)azetidine-1-carboxylate
CID 164938339
tert-butyl N-[3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-(fluoromethoxy)-3-pyridinyl]oxy]propyl]carbamate
CID 164938345
tert-butyl (3S)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoropyrrolidine-1-carboxylate
CID 164938356
tert-butyl (3S)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoropyrrolidine-1-carboxylate
CID 164938360
tert-butyl (3R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoropyrrolidine-1-carboxylate
CID 164938363
tert-butyl 3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate
CID 164938371
tert-butyl N-[(2S)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate
CID 164938380
tert-butyl N-[3-[[4-(3-amino-1H-pyrazol-5-yl)-5-(fluoromethoxy)-3-pyridinyl]oxy]propyl]carbamate
CID 164938387
tert-butyl 3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxymethyl]-3-(difluoromethyl)azetidine-1-carboxylate
CID 164938388
tert-butyl N-[(2R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate
CID 164938405
tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate
CID 164938410
tert-butyl (3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoropyrrolidine-1-carboxylate
CID 164938413

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate (CID 164938354) is tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate is COc1cncc(OCC2(F)CN(C(=O)OC(C)(C)C)C2)c1-c1cc(N)n[nH]1.
What is the InChIKey of tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate?
The InChIKey is CXDMTSBLMYAMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O4/c1-17(2,3)28-16(25)24-8-18(19,9-24)10-27-13-7-21-6-12(26-4)15(13)11-5-14(20)23-22-11/h5-7H,8-10H2,1-4H3,(H3,20,22,23).
What are the key properties of tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate?
tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate has a molecular weight of 393.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-fluoroazetidine-1-carboxylate is sourced from PubChem (CID 164938354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).