2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

C33H23N5OS — CID 139890304

IUPAC2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESO=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1Cc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C33H23N5OS/c39-29-20-19-26(30-27-18-10-11-21-37(27)36-31(30)23-12-4-1-5-13-23)35-38(29)22-28-34-32(24-14-6-2-7-15-24)33(40-28)25-16-8-3-9-17-25/h1-21H,22H2
InChIKeyXWAVFWKHLXGATJ-UHFFFAOYSA-N
MW537.65 g/mol
LogP7.06
Rot. Bonds6

About 2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (PubChem CID 139890304) has the molecular formula C33H23N5OS and a molecular weight of 537.65 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
PubChem CID139890304
Molecular FormulaC33H23N5OS
Molecular Weight537.65 g/mol
Exact Mass537.16
IUPAC Name2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESO=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1Cc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C33H23N5OS/c39-29-20-19-26(30-27-18-10-11-21-37(27)36-31(30)23-12-4-1-5-13-23)35-38(29)22-28-34-32(24-14-6-2-7-15-24)33(40-28)25-16-8-3-9-17-25/h1-21H,22H2
InChIKeyXWAVFWKHLXGATJ-UHFFFAOYSA-N
XLogP7.06
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.65
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The IUPAC name of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (CID 139890304) is 2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1Cc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The InChIKey is XWAVFWKHLXGATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N5OS/c39-29-20-19-26(30-27-18-10-11-21-37(27)36-31(30)23-12-4-1-5-13-23)35-38(29)22-28-34-32(24-14-6-2-7-15-24)33(40-28)25-16-8-3-9-17-25/h1-21H,22H2.
What are the key properties of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one has a molecular weight of 537.65 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is sourced from PubChem (CID 139890304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).