2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide

C20H24N6O4 — CID 66894128

IUPAC2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide
SMILESCc1ncccc1Oc1cnn(C(C)(C(N)=O)c2ccn(CC(C)(C)O)n2)c(=O)c1
InChIInChI=1S/C20H24N6O4/c1-13-15(6-5-8-22-13)30-14-10-17(27)26(23-11-14)20(4,18(21)28)16-7-9-25(24-16)12-19(2,3)29/h5-11,29H,12H2,1-4H3,(H2,21,28)
InChIKeyPWHNZQNUEIMZEW-UHFFFAOYSA-N
MW412.45 g/mol
LogP0.96
Rot. Bonds7

About 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide

2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide (PubChem CID 66894128) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide
PubChem CID66894128
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC Name2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide
SMILESCc1ncccc1Oc1cnn(C(C)(C(N)=O)c2ccn(CC(C)(C)O)n2)c(=O)c1
InChIInChI=1S/C20H24N6O4/c1-13-15(6-5-8-22-13)30-14-10-17(27)26(23-11-14)20(4,18(21)28)16-7-9-25(24-16)12-19(2,3)29/h5-11,29H,12H2,1-4H3,(H2,21,28)
InChIKeyPWHNZQNUEIMZEW-UHFFFAOYSA-N
XLogP0.96
TPSA138.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide (CID 66894128) is 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide is Cc1ncccc1Oc1cnn(C(C)(C(N)=O)c2ccn(CC(C)(C)O)n2)c(=O)c1.
What is the InChIKey of 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide?
The InChIKey is PWHNZQNUEIMZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-13-15(6-5-8-22-13)30-14-10-17(27)26(23-11-14)20(4,18(21)28)16-7-9-25(24-16)12-19(2,3)29/h5-11,29H,12H2,1-4H3,(H2,21,28).
What are the key properties of 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide?
2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide has a molecular weight of 412.45 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[4-[(2-methyl-3-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 66894128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).