2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

C15H23FN4O — CID 154637426

IUPAC2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCCC(C)(C)N1CCc2nn(C/C(=C/F)CN)cc2C1=O
InChIInChI=1S/C15H23FN4O/c1-4-15(2,3)20-6-5-13-12(14(20)21)10-19(18-13)9-11(7-16)8-17/h7,10H,4-6,8-9,17H2,1-3H3/b11-7+
InChIKeyIEPOTTRHVHLPIY-YRNVUSSQSA-N
MW294.37 g/mol
LogP1.88
Rot. Bonds5

About 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 154637426) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID154637426
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCCC(C)(C)N1CCc2nn(C/C(=C/F)CN)cc2C1=O
InChIInChI=1S/C15H23FN4O/c1-4-15(2,3)20-6-5-13-12(14(20)21)10-19(18-13)9-11(7-16)8-17/h7,10H,4-6,8-9,17H2,1-3H3/b11-7+
InChIKeyIEPOTTRHVHLPIY-YRNVUSSQSA-N
XLogP1.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 154637426) is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is CCC(C)(C)N1CCc2nn(C/C(=C/F)CN)cc2C1=O.
What is the InChIKey of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is IEPOTTRHVHLPIY-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-4-15(2,3)20-6-5-13-12(14(20)21)10-19(18-13)9-11(7-16)8-17/h7,10H,4-6,8-9,17H2,1-3H3/b11-7+.
What are the key properties of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 294.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 154637426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).