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

C19H27N5O4 — CID 164938399

IUPACtert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-methylazetidine-1-carboxylate
SMILESCOc1cncc(OCC2(C)CN(C(=O)OC(C)(C)C)C2)c1-c1cc(N)n[nH]1
InChIInChI=1S/C19H27N5O4/c1-18(2,3)28-17(25)24-9-19(4,10-24)11-27-14-8-21-7-13(26-5)16(14)12-6-15(20)23-22-12/h6-8H,9-11H2,1-5H3,(H3,20,22,23)
InChIKeyVGONABYMXFIPOX-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.70
Rot. Bonds5

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

tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-methylazetidine-1-carboxylate (PubChem CID 164938399) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-methylazetidine-1-carboxylate
PubChem CID164938399
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Nametert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-methylazetidine-1-carboxylate
SMILESCOc1cncc(OCC2(C)CN(C(=O)OC(C)(C)C)C2)c1-c1cc(N)n[nH]1
InChIInChI=1S/C19H27N5O4/c1-18(2,3)28-17(25)24-9-19(4,10-24)11-27-14-8-21-7-13(26-5)16(14)12-6-15(20)23-22-12/h6-8H,9-11H2,1-5H3,(H3,20,22,23)
InChIKeyVGONABYMXFIPOX-UHFFFAOYSA-N
XLogP2.70
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.70
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-methylazetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 164938342
tert-butyl 3-[(1R)-1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]ethyl]azetidine-1-carboxylate
CID 164938364
tert-butyl 3-[[3-(3-amino-1H-pyrazol-5-yl)-2-methoxy-4-pyridinyl]oxymethyl]-3-(hydroxymethyl)azetidine-1-carboxylate
CID 164938344
tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-1,5-naphthyridin-3-yl]oxymethyl]-3,3-difluorocyclobutyl]methyl]carbamate
CID 177118408
tert-butyl 3-[[3-[8-methoxy-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-6-yl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]-3-methylazetidine-1-carboxylate
CID 146273350
tert-butyl 3-methyl-3-(2-oxopropyl)azetidine-1-carboxylate
CID 126745334
tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate
CID 156898070
methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 118868316
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl (3S,4S)-4-(3-butoxy-4-methoxyphenyl)-3-[(1R)-1-hydroxyethyl]-3-methylpyrrolidine-1-carboxylate
CID 118927990
tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate
CID 115373753
tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate
CID 122439079

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-methylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-methylazetidine-1-carboxylate (CID 164938399) is tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-methylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-methylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-methylazetidine-1-carboxylate is COc1cncc(OCC2(C)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-methylazetidine-1-carboxylate?
The InChIKey is VGONABYMXFIPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-18(2,3)28-17(25)24-9-19(4,10-24)11-27-14-8-21-7-13(26-5)16(14)12-6-15(20)23-22-12/h6-8H,9-11H2,1-5H3,(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-methylazetidine-1-carboxylate?
tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-methylazetidine-1-carboxylate has a molecular weight of 389.46 g/mol, XLogP of 2.70, 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-methylazetidine-1-carboxylate is sourced from PubChem (CID 164938399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).