tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate

C20H26N4O4 — CID 112532523

IUPACtert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCOc1ccccc1CC(=O)Nc1n[nH]c2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H26N4O4/c1-20(2,3)28-19(26)24-10-9-14-15(12-24)22-23-18(14)21-17(25)11-13-7-5-6-8-16(13)27-4/h5-8H,9-12H2,1-4H3,(H2,21,22,23,25)
InChIKeyGJUGAHVJKJPWKV-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.89
Rot. Bonds4

About tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate

tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 112532523) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
PubChem CID112532523
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Nametert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCOc1ccccc1CC(=O)Nc1n[nH]c2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H26N4O4/c1-20(2,3)28-19(26)24-10-9-14-15(12-24)22-23-18(14)21-17(25)11-13-7-5-6-8-16(13)27-4/h5-8H,9-12H2,1-4H3,(H2,21,22,23,25)
InChIKeyGJUGAHVJKJPWKV-UHFFFAOYSA-N
XLogP2.89
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[(2-methoxyphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84575979
tert-butyl 3-[3-(4-methylpiperazin-1-yl)propanoylamino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 112532479
tert-butyl 3-[(3-fluorobenzoyl)amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 110476693
tert-butyl 3-[(2-ethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84575552
tert-butyl 3-[(2,5-dimethylbenzoyl)amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 112532544
tert-butyl 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 50992799
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 112687368
tert-butyl 3-(furan-2-ylmethylcarbamoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84576117
tert-butyl 3-ethoxy-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 118570120
tert-butyl 3-(3-methoxycarbonylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 121365292
tert-butyl 3-(cyclopropylamino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 83866831
tert-butyl 3-(4-acetylpiperazine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84576063

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate (CID 112532523) is tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate is COc1ccccc1CC(=O)Nc1n[nH]c2c1CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is GJUGAHVJKJPWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-20(2,3)28-19(26)24-10-9-14-15(12-24)22-23-18(14)21-17(25)11-13-7-5-6-8-16(13)27-4/h5-8H,9-12H2,1-4H3,(H2,21,22,23,25).
What are the key properties of tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-(2-methoxyphenyl)acetyl]amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 112532523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).