N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide

C26H24N6O2 — CID 95060243

IUPACN-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1C(c2ccc(C)cc2)=C[C@H](c2ccccc2)n2nnnc21
InChIInChI=1S/C26H24N6O2/c1-18-12-14-20(15-13-18)22-16-23(19-8-4-3-5-9-19)32-26(28-29-30-32)31(22)17-25(33)27-21-10-6-7-11-24(21)34-2/h3-16,23H,17H2,1-2H3,(H,27,33)/t23-/m1/s1
InChIKeyWBBBKIODKYDNNC-HSZRJFAPSA-N
MW452.52 g/mol
LogP4.08
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide

N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 95060243) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
PubChem CID95060243
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC NameN-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1C(c2ccc(C)cc2)=C[C@H](c2ccccc2)n2nnnc21
InChIInChI=1S/C26H24N6O2/c1-18-12-14-20(15-13-18)22-16-23(19-8-4-3-5-9-19)32-26(28-29-30-32)31(22)17-25(33)27-21-10-6-7-11-24(21)34-2/h3-16,23H,17H2,1-2H3,(H,27,33)/t23-/m1/s1
InChIKeyWBBBKIODKYDNNC-HSZRJFAPSA-N
XLogP4.08
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(2-methoxyphenyl)acetamide
CID 95060486
N-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060414
N-(2-ethoxyphenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060413
N-(2,4-dimethylphenyl)-2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060254
N-(4-fluorophenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060245
N-(3,4-dimethylphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060259
N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060249
N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060267
2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid
CID 53214294
2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 95060487
N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060394
N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53046528

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 95060243) is N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is COc1ccccc1NC(=O)CN1C(c2ccc(C)cc2)=C[C@H](c2ccccc2)n2nnnc21.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The InChIKey is WBBBKIODKYDNNC-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-18-12-14-20(15-13-18)22-16-23(19-8-4-3-5-9-19)32-26(28-29-30-32)31(22)17-25(33)27-21-10-6-7-11-24(21)34-2/h3-16,23H,17H2,1-2H3,(H,27,33)/t23-/m1/s1.
What are the key properties of N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 452.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 95060243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).