5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one

C15H21N5O2 — CID 176918498

IUPAC5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCOc1cc2cn[nH]c(=O)c2c(N2CCC(CCN)CC2)n1
InChIInChI=1S/C15H21N5O2/c1-22-12-8-11-9-17-19-15(21)13(11)14(18-12)20-6-3-10(2-5-16)4-7-20/h8-10H,2-7,16H2,1H3,(H,19,21)
InChIKeySALBYKKIZYUIMP-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.89
Rot. Bonds4

About 5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one

5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one (PubChem CID 176918498) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one
PubChem CID176918498
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCOc1cc2cn[nH]c(=O)c2c(N2CCC(CCN)CC2)n1
InChIInChI=1S/C15H21N5O2/c1-22-12-8-11-9-17-19-15(21)13(11)14(18-12)20-6-3-10(2-5-16)4-7-20/h8-10H,2-7,16H2,1H3,(H,19,21)
InChIKeySALBYKKIZYUIMP-UHFFFAOYSA-N
XLogP0.89
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one with MolForge

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Related Compounds

2-[1-(7-cyano-4-oxo-3H-pyrido[3,4-d]pyridazin-5-yl)piperidin-4-yl]ethylphosphonous acid
CID 176918443
2-[1-[7-methoxy-4-oxo-3-(1H-pyrazole-5-carbonyl)pyrido[3,4-d]pyridazin-5-yl]piperidin-4-yl]ethylphosphonous acid
CID 176918275
2-[1-(7-methoxy-3-methylsulfonyl-4-oxopyrido[3,4-d]pyridazin-5-yl)piperidin-4-yl]ethylphosphonous acid
CID 176918550
2-[1-[3-[(3,4-dihydroxyphenyl)methyl]-7-methoxy-4-oxopyrido[3,4-d]pyridazin-5-yl]piperidin-4-yl]ethylphosphonous acid
CID 176918305
2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 80753257
2-[1-[7-methoxy-4-oxo-3-(1H-pyrrole-3-carbonyl)pyrido[3,4-d]pyridazin-5-yl]piperidin-4-yl]ethylphosphonous acid
CID 176918395
2-[1-[7-methoxy-3-(naphthalene-2-carbonyl)-4-oxopyrido[3,4-d]pyridazin-5-yl]piperidin-4-yl]ethylphosphonous acid
CID 176918511
2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 112676170
2-[4-(2-aminoethyl)piperidin-1-yl]-4-[4-(hydroxymethyl)anilino]-6H-pyrimido[4,5-d]pyridazin-5-one
CID 129196906
2-[4-(2-aminoethyl)piperidin-1-yl]-4-[4-(difluoromethoxy)anilino]-6H-pyrimido[4,5-d]pyridazin-5-one
CID 137425978
2-[1-[3-[2-(furan-2-yl)acetyl]-7-methoxy-4-oxopyrido[3,4-d]pyridazin-5-yl]piperidin-4-yl]ethylphosphonous acid
CID 176918237
2-[1-[7-methoxy-3-[2-(5-methylfuran-2-yl)acetyl]-4-oxopyrido[3,4-d]pyridazin-5-yl]piperidin-4-yl]ethylphosphonic acid
CID 176918258

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one (CID 176918498) is 5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one is COc1cc2cn[nH]c(=O)c2c(N2CCC(CCN)CC2)n1.
What is the InChIKey of 5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one?
The InChIKey is SALBYKKIZYUIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-22-12-8-11-9-17-19-15(21)13(11)14(18-12)20-6-3-10(2-5-16)4-7-20/h8-10H,2-7,16H2,1H3,(H,19,21).
What are the key properties of 5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one?
5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one has a molecular weight of 303.37 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethyl)piperidin-1-yl]-7-methoxy-3H-pyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 176918498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).