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

C14H19FN4O — CID 154637419

IUPAC2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESNC/C(=C\F)Cn1cc2c(n1)CCN(CC1CC1)C2=O
InChIInChI=1S/C14H19FN4O/c15-5-11(6-16)8-19-9-12-13(17-19)3-4-18(14(12)20)7-10-1-2-10/h5,9-10H,1-4,6-8,16H2/b11-5+
InChIKeyOXCJGBMWGIWVKQ-VZUCSPMQSA-N
MW278.33 g/mol
LogP1.10
Rot. Bonds5

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

2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 154637419) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID154637419
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESNC/C(=C\F)Cn1cc2c(n1)CCN(CC1CC1)C2=O
InChIInChI=1S/C14H19FN4O/c15-5-11(6-16)8-19-9-12-13(17-19)3-4-18(14(12)20)7-10-1-2-10/h5,9-10H,1-4,6-8,16H2/b11-5+
InChIKeyOXCJGBMWGIWVKQ-VZUCSPMQSA-N
XLogP1.10
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.10
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-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 154637419) is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is NC/C(=C\F)Cn1cc2c(n1)CCN(CC1CC1)C2=O.
What is the InChIKey of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is OXCJGBMWGIWVKQ-VZUCSPMQSA-N. The full InChI is InChI=1S/C14H19FN4O/c15-5-11(6-16)8-19-9-12-13(17-19)3-4-18(14(12)20)7-10-1-2-10/h5,9-10H,1-4,6-8,16H2/b11-5+.
What are the key properties of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 278.33 g/mol, XLogP of 1.10, 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-(cyclopropylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 154637419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).