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

C24H27BrN6O4 — CID 135661195

IUPAC7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1cc(Br)c(OC(C)C)c(OC)c1
InChIInChI=1S/C24H27BrN6O4/c1-6-34-18-10-8-7-9-17(18)27-23(32)20-14(4)26-24-28-29-30-31(24)21(20)15-11-16(25)22(35-13(2)3)19(12-15)33-5/h7-13,21H,6H2,1-5H3,(H,27,32)(H,26,28,30)
InChIKeyJAKXRGBDEGJXGO-UHFFFAOYSA-N
MW543.42 g/mol
LogP4.56
Rot. Bonds8

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

7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135661195) has the molecular formula C24H27BrN6O4 and a molecular weight of 543.42 g/mol. Its IUPAC name is 7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135661195
Molecular FormulaC24H27BrN6O4
Molecular Weight543.42 g/mol
Exact Mass542.13
IUPAC Name7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1cc(Br)c(OC(C)C)c(OC)c1
InChIInChI=1S/C24H27BrN6O4/c1-6-34-18-10-8-7-9-17(18)27-23(32)20-14(4)26-24-28-29-30-31(24)21(20)15-11-16(25)22(35-13(2)3)19(12-15)33-5/h7-13,21H,6H2,1-5H3,(H,27,32)(H,26,28,30)
InChIKeyJAKXRGBDEGJXGO-UHFFFAOYSA-N
XLogP4.56
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
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-[(2-fluorophenyl)methoxy]phenyl]-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135826347
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-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135826351
(7R)-7-(4-ethoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181499
(7S)-7-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1178876
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-butoxy-5-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135661074
7-(3-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135661593
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-methoxy-4-pentoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135661089

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135661195) is 7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1cc(Br)c(OC(C)C)c(OC)c1.
What is the InChIKey of 7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is JAKXRGBDEGJXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN6O4/c1-6-34-18-10-8-7-9-17(18)27-23(32)20-14(4)26-24-28-29-30-31(24)21(20)15-11-16(25)22(35-13(2)3)19(12-15)33-5/h7-13,21H,6H2,1-5H3,(H,27,32)(H,26,28,30).
What are the key properties of 7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 543.42 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135661195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).