2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one

C26H27N5O3 — CID 90025606

IUPAC2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one
SMILESCn1nc(-c2ccccc2Oc2ccccc2)c(-c2cnn(CCN3CCOCC3)c2)cc1=O
InChIInChI=1S/C26H27N5O3/c1-29-25(32)17-23(20-18-27-31(19-20)12-11-30-13-15-33-16-14-30)26(28-29)22-9-5-6-10-24(22)34-21-7-3-2-4-8-21/h2-10,17-19H,11-16H2,1H3
InChIKeyPOHIGTJRSOBYTE-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.44
Rot. Bonds7

About 2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one

2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one (PubChem CID 90025606) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one
PubChem CID90025606
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one
SMILESCn1nc(-c2ccccc2Oc2ccccc2)c(-c2cnn(CCN3CCOCC3)c2)cc1=O
InChIInChI=1S/C26H27N5O3/c1-29-25(32)17-23(20-18-27-31(19-20)12-11-30-13-15-33-16-14-30)26(28-29)22-9-5-6-10-24(22)34-21-7-3-2-4-8-21/h2-10,17-19H,11-16H2,1H3
InChIKeyPOHIGTJRSOBYTE-UHFFFAOYSA-N
XLogP3.44
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one (CID 90025606) is 2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one is Cn1nc(-c2ccccc2Oc2ccccc2)c(-c2cnn(CCN3CCOCC3)c2)cc1=O.
What is the InChIKey of 2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one?
The InChIKey is POHIGTJRSOBYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-29-25(32)17-23(20-18-27-31(19-20)12-11-30-13-15-33-16-14-30)26(28-29)22-9-5-6-10-24(22)34-21-7-3-2-4-8-21/h2-10,17-19H,11-16H2,1H3.
What are the key properties of 2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one?
2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one has a molecular weight of 457.53 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 90025606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).