6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one

C29H34N6O4 — CID 71518243

IUPAC6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one
SMILESCCc1cc2c(C3=NN(CCCCOc4ccc(C5=NNC(=O)CC5C)cc4)C(=O)CC3)ccc(OC)n2n1
InChIInChI=1S/C29H34N6O4/c1-4-21-18-25-23(11-14-28(38-3)35(25)32-21)24-12-13-27(37)34(33-24)15-5-6-16-39-22-9-7-20(8-10-22)29-19(2)17-26(36)30-31-29/h7-11,14,18-19H,4-6,12-13,15-17H2,1-3H3,(H,30,36)
InChIKeyJEWKSLKJSOPLPJ-UHFFFAOYSA-N
MW530.63 g/mol
LogP3.95
Rot. Bonds10

About 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one

6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one (PubChem CID 71518243) has the molecular formula C29H34N6O4 and a molecular weight of 530.63 g/mol. Its IUPAC name is 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one
PubChem CID71518243
Molecular FormulaC29H34N6O4
Molecular Weight530.63 g/mol
Exact Mass530.26
IUPAC Name6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one
SMILESCCc1cc2c(C3=NN(CCCCOc4ccc(C5=NNC(=O)CC5C)cc4)C(=O)CC3)ccc(OC)n2n1
InChIInChI=1S/C29H34N6O4/c1-4-21-18-25-23(11-14-28(38-3)35(25)32-21)24-12-13-27(37)34(33-24)15-5-6-16-39-22-9-7-20(8-10-22)29-19(2)17-26(36)30-31-29/h7-11,14,18-19H,4-6,12-13,15-17H2,1-3H3,(H,30,36)
InChIKeyJEWKSLKJSOPLPJ-UHFFFAOYSA-N
XLogP3.95
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one (CID 71518243) is 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one is CCc1cc2c(C3=NN(CCCCOc4ccc(C5=NNC(=O)CC5C)cc4)C(=O)CC3)ccc(OC)n2n1.
What is the InChIKey of 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one?
The InChIKey is JEWKSLKJSOPLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O4/c1-4-21-18-25-23(11-14-28(38-3)35(25)32-21)24-12-13-27(37)34(33-24)15-5-6-16-39-22-9-7-20(8-10-22)29-19(2)17-26(36)30-31-29/h7-11,14,18-19H,4-6,12-13,15-17H2,1-3H3,(H,30,36).
What are the key properties of 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one?
6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one has a molecular weight of 530.63 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 71518243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).