6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H16BrN5OS — CID 166195009

IUPAC6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cccc(Cc2sc(NC(=O)c3cnn4cc(Br)cnc34)nc2C)c1
InChIInChI=1S/C19H16BrN5OS/c1-11-4-3-5-13(6-11)7-16-12(2)23-19(27-16)24-18(26)15-9-22-25-10-14(20)8-21-17(15)25/h3-6,8-10H,7H2,1-2H3,(H,23,24,26)
InChIKeyLZFYOPKSZZAHPK-UHFFFAOYSA-N
MW442.34 g/mol
LogP4.41
Rot. Bonds4

About 6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166195009) has the molecular formula C19H16BrN5OS and a molecular weight of 442.34 g/mol. Its IUPAC name is 6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166195009
Molecular FormulaC19H16BrN5OS
Molecular Weight442.34 g/mol
Exact Mass441.03
IUPAC Name6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cccc(Cc2sc(NC(=O)c3cnn4cc(Br)cnc34)nc2C)c1
InChIInChI=1S/C19H16BrN5OS/c1-11-4-3-5-13(6-11)7-16-12(2)23-19(27-16)24-18(26)15-9-22-25-10-14(20)8-21-17(15)25/h3-6,8-10H,7H2,1-2H3,(H,23,24,26)
InChIKeyLZFYOPKSZZAHPK-UHFFFAOYSA-N
XLogP4.41
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166195009) is 6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cccc(Cc2sc(NC(=O)c3cnn4cc(Br)cnc34)nc2C)c1.
What is the InChIKey of 6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LZFYOPKSZZAHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5OS/c1-11-4-3-5-13(6-11)7-16-12(2)23-19(27-16)24-18(26)15-9-22-25-10-14(20)8-21-17(15)25/h3-6,8-10H,7H2,1-2H3,(H,23,24,26).
What are the key properties of 6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 442.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166195009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).