tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

C16H26N4O3 — CID 126837311

IUPACtert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCCCNC(=O)Cn1cc2c(n1)CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C16H26N4O3/c1-5-7-17-14(21)11-20-10-12-9-19(8-6-13(12)18-20)15(22)23-16(2,3)4/h10H,5-9,11H2,1-4H3,(H,17,21)
InChIKeyWWYUEMOGLXLXDC-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.70
Rot. Bonds4

About tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 126837311) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID126837311
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Nametert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCCCNC(=O)Cn1cc2c(n1)CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C16H26N4O3/c1-5-7-17-14(21)11-20-10-12-9-19(8-6-13(12)18-20)15(22)23-16(2,3)4/h10H,5-9,11H2,1-4H3,(H,17,21)
InChIKeyWWYUEMOGLXLXDC-UHFFFAOYSA-N
XLogP1.70
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308521
Ethyl 4-[[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308852
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309025
N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309109
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 5309454
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309687
ethyl 4-{[(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)acetyl]amino}piperidine-1-carboxylate
CID 3239522
N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307472
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309382
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309567
ethyl 4-(4,5,6,7-tetrahydro-2H-indazol-2-ylacetyl)piperazine-1-carboxylate
CID 3237937
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307342

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (CID 126837311) is tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is CCCNC(=O)Cn1cc2c(n1)CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is WWYUEMOGLXLXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-5-7-17-14(21)11-20-10-12-9-19(8-6-13(12)18-20)15(22)23-16(2,3)4/h10H,5-9,11H2,1-4H3,(H,17,21).
What are the key properties of tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 126837311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).