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

C29H23N7O2S — CID 118032483

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

2-methyl-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118032483) has the molecular formula C29H23N7O2S and a molecular weight of 533.62 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 118032483
• Molecular Formula: C29H23N7O2S
• Molecular Weight: 533.62 g/mol
• Exact Mass: 533.16
• IUPAC Name: 2-methyl-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nn2cccnc2c1C(=O)N[C@H](C)c1nc2cccc(/C=C/c3cscn3)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C29H23N7O2S/c1-18-24(27-30-14-7-15-35(27)34-18)28(37)32-19(2)26-33-23-11-6-8-20(12-13-21-16-39-17-31-21)25(23)29(38)36(26)22-9-4-3-5-10-22/h3-17,19H,1-2H3,(H,32,37)/b13-12+/t19-/m1/s1
• InChIKey: VWSLLRNEGZMWDP-JXOMPUQVSA-N
• XLogP: 4.85
• TPSA: 107.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.62
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118032483) is 2-methyl-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 2-methyl-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)N[C@H](C)c1nc2cccc(/C=C/c3cscn3)c2c(=O)n1-c1ccccc1.

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

The InChIKey is VWSLLRNEGZMWDP-JXOMPUQVSA-N. The full InChI is InChI=1S/C29H23N7O2S/c1-18-24(27-30-14-7-15-35(27)34-18)28(37)32-19(2)26-33-23-11-6-8-20(12-13-21-16-39-17-31-21)25(23)29(38)36(26)22-9-4-3-5-10-22/h3-17,19H,1-2H3,(H,32,37)/b13-12+/t19-/m1/s1.

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

2-methyl-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 533.62 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118032483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).