4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one

C18H17N5O2 — CID 166175976

IUPAC4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one
SMILESCCOc1ccn2ncc(-c3ccc4c(c3)C(CN)N=NC4=O)c2c1
InChIInChI=1S/C18H17N5O2/c1-2-25-12-5-6-23-17(8-12)15(10-20-23)11-3-4-13-14(7-11)16(9-19)21-22-18(13)24/h3-8,10,16H,2,9,19H2,1H3
InChIKeySXTHAQIQSYXATB-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.01
Rot. Bonds4

About 4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one

4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one (PubChem CID 166175976) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one
PubChem CID166175976
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one
SMILESCCOc1ccn2ncc(-c3ccc4c(c3)C(CN)N=NC4=O)c2c1
InChIInChI=1S/C18H17N5O2/c1-2-25-12-5-6-23-17(8-12)15(10-20-23)11-3-4-13-14(7-11)16(9-19)21-22-18(13)24/h3-8,10,16H,2,9,19H2,1H3
InChIKeySXTHAQIQSYXATB-UHFFFAOYSA-N
XLogP3.01
TPSA94.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one?
The IUPAC name of 4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one (CID 166175976) is 4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one.
What is the SMILES notation for 4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one?
The canonical SMILES for 4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one is CCOc1ccn2ncc(-c3ccc4c(c3)C(CN)N=NC4=O)c2c1.
What is the InChIKey of 4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one?
The InChIKey is SXTHAQIQSYXATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-2-25-12-5-6-23-17(8-12)15(10-20-23)11-3-4-13-14(7-11)16(9-19)21-22-18(13)24/h3-8,10,16H,2,9,19H2,1H3.
What are the key properties of 4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one?
4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one has a molecular weight of 335.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)-4H-phthalazin-1-one is sourced from PubChem (CID 166175976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).