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

C29H34N6O4 — CID 71517907

IUPAC6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one
SMILESCCc1cc2c(C3=NN(CCCOc4ccc(C5=NNC(=O)CC5C)cc4)C(=O)CC3C)ccc(OC)n2n1
InChIInChI=1S/C29H34N6O4/c1-5-21-17-24-23(11-12-27(38-4)35(24)32-21)29-19(3)16-26(37)34(33-29)13-6-14-39-22-9-7-20(8-10-22)28-18(2)15-25(36)30-31-28/h7-12,17-19H,5-6,13-16H2,1-4H3,(H,30,36)
InChIKeyCRBDZNGNKHWMCU-UHFFFAOYSA-N
MW530.63 g/mol
LogP3.81
Rot. Bonds9

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

6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one (PubChem CID 71517907) 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)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one
PubChem CID71517907
Molecular FormulaC29H34N6O4
Molecular Weight530.63 g/mol
Exact Mass530.26
IUPAC Name6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one
SMILESCCc1cc2c(C3=NN(CCCOc4ccc(C5=NNC(=O)CC5C)cc4)C(=O)CC3C)ccc(OC)n2n1
InChIInChI=1S/C29H34N6O4/c1-5-21-17-24-23(11-12-27(38-4)35(24)32-21)29-19(3)16-26(37)34(33-29)13-6-14-39-22-9-7-20(8-10-22)28-18(2)15-25(36)30-31-28/h7-12,17-19H,5-6,13-16H2,1-4H3,(H,30,36)
InChIKeyCRBDZNGNKHWMCU-UHFFFAOYSA-N
XLogP3.81
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 53.81
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)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one (CID 71517907) is 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one is CCc1cc2c(C3=NN(CCCOc4ccc(C5=NNC(=O)CC5C)cc4)C(=O)CC3C)ccc(OC)n2n1.
What is the InChIKey of 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one?
The InChIKey is CRBDZNGNKHWMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O4/c1-5-21-17-24-23(11-12-27(38-4)35(24)32-21)29-19(3)16-26(37)34(33-29)13-6-14-39-22-9-7-20(8-10-22)28-18(2)15-25(36)30-31-28/h7-12,17-19H,5-6,13-16H2,1-4H3,(H,30,36).
What are the key properties of 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one?
6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one has a molecular weight of 530.63 g/mol, XLogP of 3.81, 9 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)-5-methyl-2-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 71517907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).