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

C27H26N6O2 — CID 95060414

IUPACN-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1C(c2ccccc2)=C[C@H](c2ccc(C)cc2)n2nnnc21
InChIInChI=1S/C27H26N6O2/c1-3-35-25-12-8-7-11-22(25)28-26(34)18-32-23(20-9-5-4-6-10-20)17-24(33-27(32)29-30-31-33)21-15-13-19(2)14-16-21/h4-17,24H,3,18H2,1-2H3,(H,28,34)/t24-/m1/s1
InChIKeyAVXWCUFLMAZDKM-XMMPIXPASA-N
MW466.55 g/mol
LogP4.47
Rot. Bonds7

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

N-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 95060414) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
PubChem CID95060414
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC NameN-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1C(c2ccccc2)=C[C@H](c2ccc(C)cc2)n2nnnc21
InChIInChI=1S/C27H26N6O2/c1-3-35-25-12-8-7-11-22(25)28-26(34)18-32-23(20-9-5-4-6-10-20)17-24(33-27(32)29-30-31-33)21-15-13-19(2)14-16-21/h4-17,24H,3,18H2,1-2H3,(H,28,34)/t24-/m1/s1
InChIKeyAVXWCUFLMAZDKM-XMMPIXPASA-N
XLogP4.47
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxyphenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060413
2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(2-methoxyphenyl)acetamide
CID 95060486
N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060243
2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 95060501
N-(2,4-dimethylphenyl)-2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060254
2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid
CID 53214294
N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53046528
N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060394
2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 95060487
N-benzyl-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53046433
N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060249
N-(3,4-dimethylphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060259

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 95060414) is N-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is CCOc1ccccc1NC(=O)CN1C(c2ccccc2)=C[C@H](c2ccc(C)cc2)n2nnnc21.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The InChIKey is AVXWCUFLMAZDKM-XMMPIXPASA-N. The full InChI is InChI=1S/C27H26N6O2/c1-3-35-25-12-8-7-11-22(25)28-26(34)18-32-23(20-9-5-4-6-10-20)17-24(33-27(32)29-30-31-33)21-15-13-19(2)14-16-21/h4-17,24H,3,18H2,1-2H3,(H,28,34)/t24-/m1/s1.
What are the key properties of N-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
N-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 466.55 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 95060414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).