N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide

C25H20F2N6O — CID 53046528

IUPACN-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCc1ccc(C2C=C(c3ccccc3)N(CC(=O)Nc3ccc(F)c(F)c3)c3nnnn32)cc1
InChIInChI=1S/C25H20F2N6O/c1-16-7-9-18(10-8-16)23-14-22(17-5-3-2-4-6-17)32(25-29-30-31-33(23)25)15-24(34)28-19-11-12-20(26)21(27)13-19/h2-14,23H,15H2,1H3,(H,28,34)
InChIKeyMHIJAFLLJAJFOM-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.35
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide

N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 53046528) has the molecular formula C25H20F2N6O and a molecular weight of 458.47 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
PubChem CID53046528
Molecular FormulaC25H20F2N6O
Molecular Weight458.47 g/mol
Exact Mass458.17
IUPAC NameN-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCc1ccc(C2C=C(c3ccccc3)N(CC(=O)Nc3ccc(F)c(F)c3)c3nnnn32)cc1
InChIInChI=1S/C25H20F2N6O/c1-16-7-9-18(10-8-16)23-14-22(17-5-3-2-4-6-17)32(25-29-30-31-33(23)25)15-24(34)28-19-11-12-20(26)21(27)13-19/h2-14,23H,15H2,1H3,(H,28,34)
InChIKeyMHIJAFLLJAJFOM-UHFFFAOYSA-N
XLogP4.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 53046528) is N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is Cc1ccc(C2C=C(c3ccccc3)N(CC(=O)Nc3ccc(F)c(F)c3)c3nnnn32)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The InChIKey is MHIJAFLLJAJFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O/c1-16-7-9-18(10-8-16)23-14-22(17-5-3-2-4-6-17)32(25-29-30-31-33(23)25)15-24(34)28-19-11-12-20(26)21(27)13-19/h2-14,23H,15H2,1H3,(H,28,34).
What are the key properties of N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 458.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 53046528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).