5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C28H23N5O2S — CID 134307440

About 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307440) has the molecular formula C28H23N5O2S and a molecular weight of 493.59 g/mol. Its IUPAC name is 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 134307440
• Molecular Formula: C28H23N5O2S
• Molecular Weight: 493.59 g/mol
• Exact Mass: 493.16
• IUPAC Name: 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: COc1ccc(-c2c(NC3=NCCS3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
• InChI: InChI=1S/C28H23N5O2S/c1-35-21-14-12-19(13-15-21)23-25(31-28-29-16-17-36-28)30-26-22(18-8-4-2-5-9-18)24(32-33(26)27(23)34)20-10-6-3-7-11-20/h2-15,32H,16-17H2,1H3,(H,29,31)
• InChIKey: BLVPVWWCGWCHOR-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 83.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.59
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307440) is 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(NC3=NCCS3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1.

What is the InChIKey of 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is BLVPVWWCGWCHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2S/c1-35-21-14-12-19(13-15-21)23-25(31-28-29-16-17-36-28)30-26-22(18-8-4-2-5-9-18)24(32-33(26)27(23)34)20-10-6-3-7-11-20/h2-15,32H,16-17H2,1H3,(H,29,31).

What are the key properties of 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 493.59 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).