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

C15H24ClFN4O — CID 154637425

IUPAC2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one;hydrochloride
SMILESCCC(C)(C)N1CCc2nn(C/C(=C/F)CN)cc2C1=O.Cl
InChIInChI=1S/C15H23FN4O.ClH/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;1H/b11-7+;
InChIKeyCXOWVYRJYIUYOE-RVDQCCQOSA-N
MW330.84 g/mol
LogP2.30
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;hydrochloride

2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one;hydrochloride (PubChem CID 154637425) has the molecular formula C15H24ClFN4O and a molecular weight of 330.84 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;hydrochloride.

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;hydrochloride
PubChem CID154637425
Molecular FormulaC15H24ClFN4O
Molecular Weight330.84 g/mol
Exact Mass330.16
IUPAC Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one;hydrochloride
SMILESCCC(C)(C)N1CCc2nn(C/C(=C/F)CN)cc2C1=O.Cl
InChIInChI=1S/C15H23FN4O.ClH/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;1H/b11-7+;
InChIKeyCXOWVYRJYIUYOE-RVDQCCQOSA-N
XLogP2.30
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.30
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;hydrochloride?
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;hydrochloride (CID 154637425) is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one;hydrochloride.
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;hydrochloride?
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;hydrochloride is CCC(C)(C)N1CCc2nn(C/C(=C/F)CN)cc2C1=O.Cl.
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;hydrochloride?
The InChIKey is CXOWVYRJYIUYOE-RVDQCCQOSA-N. The full InChI is InChI=1S/C15H23FN4O.ClH/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;1H/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;hydrochloride?
2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(2-methylbutan-2-yl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one;hydrochloride has a molecular weight of 330.84 g/mol, XLogP of 2.30, 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;hydrochloride is sourced from PubChem (CID 154637425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).