tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate

C20H26N4O4 — CID 112532514

IUPACtert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
SMILESCOc1cccc(CC(=O)n2nc3c(c2N)CCN(C(=O)OC(C)(C)C)C3)c1
InChIInChI=1S/C20H26N4O4/c1-20(2,3)28-19(26)23-9-8-15-16(12-23)22-24(18(15)21)17(25)11-13-6-5-7-14(10-13)27-4/h5-7,10H,8-9,11-12,21H2,1-4H3
InChIKeyOFGJGCJWNWWUCZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate

tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate (PubChem CID 112532514) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
PubChem CID112532514
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Nametert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
SMILESCOc1cccc(CC(=O)n2nc3c(c2N)CCN(C(=O)OC(C)(C)C)C3)c1
InChIInChI=1S/C20H26N4O4/c1-20(2,3)28-19(26)23-9-8-15-16(12-23)22-24(18(15)21)17(25)11-13-6-5-7-14(10-13)27-4/h5-7,10H,8-9,11-12,21H2,1-4H3
InChIKeyOFGJGCJWNWWUCZ-UHFFFAOYSA-N
XLogP2.65
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate with MolForge

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Related Compounds

tert-butyl 3-amino-2-[2-(3-bromophenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 112532518
tert-butyl 3-amino-2-(2,2,2-trifluoroacetyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 112532532
tert-butyl 3-[2-(3-methoxyphenyl)acetyl]-4-oxopiperidine-1-carboxylate
CID 59333808
tert-butyl 4-hydroxy-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxylate
CID 134497156
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-methoxyphenyl)ethanone
CID 112536196
tert-butyl 4-[3-[[2-(3-methoxyphenyl)acetyl]amino]propyl]piperazine-1-carboxylate
CID 47038596
tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate
CID 63303226
6-[2-(3-methoxyphenyl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442513
N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811014
2-(3-methoxyphenyl)-1-[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone
CID 90501610
tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate
CID 96515811

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate (CID 112532514) is tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate is COc1cccc(CC(=O)n2nc3c(c2N)CCN(C(=O)OC(C)(C)C)C3)c1.
What is the InChIKey of tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The InChIKey is OFGJGCJWNWWUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-20(2,3)28-19(26)23-9-8-15-16(12-23)22-24(18(15)21)17(25)11-13-6-5-7-14(10-13)27-4/h5-7,10H,8-9,11-12,21H2,1-4H3.
What are the key properties of tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2-[2-(3-methoxyphenyl)acetyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 112532514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).