tert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate

C16H23FN4O3 — CID 154983825

IUPACtert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate
SMILESCN1CCc2nn(CC(=CF)CNC(=O)OC(C)(C)C)cc2C1=O
InChIInChI=1S/C16H23FN4O3/c1-16(2,3)24-15(23)18-8-11(7-17)9-21-10-12-13(19-21)5-6-20(4)14(12)22/h7,10H,5-6,8-9H2,1-4H3,(H,18,23)
InChIKeyIREPQJWZOJDUQE-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.89
Rot. Bonds4

About tert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate

tert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate (PubChem CID 154983825) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is tert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate
PubChem CID154983825
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC Nametert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate
SMILESCN1CCc2nn(CC(=CF)CNC(=O)OC(C)(C)C)cc2C1=O
InChIInChI=1S/C16H23FN4O3/c1-16(2,3)24-15(23)18-8-11(7-17)9-21-10-12-13(19-21)5-6-20(4)14(12)22/h7,10H,5-6,8-9H2,1-4H3,(H,18,23)
InChIKeyIREPQJWZOJDUQE-UHFFFAOYSA-N
XLogP1.89
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate (CID 154983825) is tert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate is CN1CCc2nn(CC(=CF)CNC(=O)OC(C)(C)C)cc2C1=O.
What is the InChIKey of tert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate?
The InChIKey is IREPQJWZOJDUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O3/c1-16(2,3)24-15(23)18-8-11(7-17)9-21-10-12-13(19-21)5-6-20(4)14(12)22/h7,10H,5-6,8-9H2,1-4H3,(H,18,23).
What are the key properties of tert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate?
tert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate has a molecular weight of 338.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-fluoro-2-[(5-methyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-2-yl)methyl]prop-2-enyl]carbamate is sourced from PubChem (CID 154983825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).