7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C28H27BrN6O3 — CID 135661104

IUPAC7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cc(C2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3nnnn32)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C28H27BrN6O3/c1-16-9-8-12-22(17(16)2)31-27(36)24-18(3)30-28-32-33-34-35(28)25(24)20-13-21(29)26(23(14-20)37-4)38-15-19-10-6-5-7-11-19/h5-14,25H,15H2,1-4H3,(H,31,36)(H,30,32,34)
InChIKeyYHYPQESUPJTABK-UHFFFAOYSA-N
MW575.47 g/mol
LogP5.57
Rot. Bonds7

About 7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135661104) has the molecular formula C28H27BrN6O3 and a molecular weight of 575.47 g/mol. Its IUPAC name is 7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135661104
Molecular FormulaC28H27BrN6O3
Molecular Weight575.47 g/mol
Exact Mass574.13
IUPAC Name7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cc(C2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3nnnn32)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C28H27BrN6O3/c1-16-9-8-12-22(17(16)2)31-27(36)24-18(3)30-28-32-33-34-35(28)25(24)20-13-21(29)26(23(14-20)37-4)38-15-19-10-6-5-7-11-19/h5-14,25H,15H2,1-4H3,(H,31,36)(H,30,32,34)
InChIKeyYHYPQESUPJTABK-UHFFFAOYSA-N
XLogP5.57
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.47
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135661254
7-(3-bromo-4-butoxy-5-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135661074
7-(3-bromo-5-methoxy-4-pentoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135661089
7-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135661524
7-[3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135826234
7-[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135826214
1-[7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 135826139
7-(3-bromo-4-butoxy-5-ethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135661464
7-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135826353
7-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135826354
7-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135661491
7-[3-bromo-5-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135661345

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135661104) is 7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is COc1cc(C2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3nnnn32)cc(Br)c1OCc1ccccc1.
What is the InChIKey of 7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YHYPQESUPJTABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27BrN6O3/c1-16-9-8-12-22(17(16)2)31-27(36)24-18(3)30-28-32-33-34-35(28)25(24)20-13-21(29)26(23(14-20)37-4)38-15-19-10-6-5-7-11-19/h5-14,25H,15H2,1-4H3,(H,31,36)(H,30,32,34).
What are the key properties of 7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 575.47 g/mol, XLogP of 5.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135661104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).