2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one

C24H19F3N8O4S — CID 137157804

About 2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one

2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one (PubChem CID 137157804) has the molecular formula C24H19F3N8O4S and a molecular weight of 572.53 g/mol. Its IUPAC name is 2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one.

Molecular Properties

• Compound Name: 2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one
• PubChem CID: 137157804
• Molecular Formula: C24H19F3N8O4S
• Molecular Weight: 572.53 g/mol
• Exact Mass: 572.12
• IUPAC Name: 2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one
• SMILES: Cc1cc(N2CCOC(C(O)c3nc4ccc5c(N)nsc5c4c(=O)[nH]3)C2=O)nn1-c1ccnc(C(F)(F)F)c1
• InChI: InChI=1S/C24H19F3N8O4S/c1-10-8-15(32-35(10)11-4-5-29-14(9-11)24(25,26)27)34-6-7-39-18(23(34)38)17(36)21-30-13-3-2-12-19(40-33-20(12)28)16(13)22(37)31-21/h2-5,8-9,17-18,36H,6-7H2,1H3,(H2,28,33)(H,30,31,37)
• InChIKey: ZIAASSIDMYAJOW-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 165.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.53
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one?

The IUPAC name of 2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one (CID 137157804) is 2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one.

What is the SMILES notation for 2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one?

The canonical SMILES for 2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one is Cc1cc(N2CCOC(C(O)c3nc4ccc5c(N)nsc5c4c(=O)[nH]3)C2=O)nn1-c1ccnc(C(F)(F)F)c1.

What is the InChIKey of 2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one?

The InChIKey is ZIAASSIDMYAJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N8O4S/c1-10-8-15(32-35(10)11-4-5-29-14(9-11)24(25,26)27)34-6-7-39-18(23(34)38)17(36)21-30-13-3-2-12-19(40-33-20(12)28)16(13)22(37)31-21/h2-5,8-9,17-18,36H,6-7H2,1H3,(H2,28,33)(H,30,31,37).

What are the key properties of 2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one?

2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one has a molecular weight of 572.53 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one is sourced from PubChem (CID 137157804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).