2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C29H24N8O2S — CID 144824224

About 2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144824224) has the molecular formula C29H24N8O2S and a molecular weight of 548.63 g/mol. Its IUPAC name is 2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 144824224
• Molecular Formula: C29H24N8O2S
• Molecular Weight: 548.63 g/mol
• Exact Mass: 548.17
• IUPAC Name: 2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccnc2c(C(=O)N[C@@H](C)c3nc4cccc(/C=C/c5nccs5)c4c(=O)n3-c3ccccc3)c(N)nn12
• InChI: InChI=1S/C29H24N8O2S/c1-17-13-14-32-27-24(25(30)35-37(17)27)28(38)33-18(2)26-34-21-10-6-7-19(11-12-22-31-15-16-40-22)23(21)29(39)36(26)20-8-4-3-5-9-20/h3-16,18H,1-2H3,(H2,30,35)(H,33,38)/b12-11+/t18-/m0/s1
• InChIKey: ONUQSYWOZCTOLH-DXRVJIQQSA-N
• XLogP: 4.44
• TPSA: 133.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.63
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144824224) is 2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccnc2c(C(=O)N[C@@H](C)c3nc4cccc(/C=C/c5nccs5)c4c(=O)n3-c3ccccc3)c(N)nn12.

What is the InChIKey of 2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ONUQSYWOZCTOLH-DXRVJIQQSA-N. The full InChI is InChI=1S/C29H24N8O2S/c1-17-13-14-32-27-24(25(30)35-37(17)27)28(38)33-18(2)26-34-21-10-6-7-19(11-12-22-31-15-16-40-22)23(21)29(39)36(26)20-8-4-3-5-9-20/h3-16,18H,1-2H3,(H2,30,35)(H,33,38)/b12-11+/t18-/m0/s1.

What are the key properties of 2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 548.63 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144824224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).