2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone

C23H24N6O2 — CID 53046425

IUPAC2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(C2=CC(c3ccccc3)n3nnnc3N2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H24N6O2/c1-17-7-9-19(10-8-17)20-15-21(18-5-3-2-4-6-18)29-23(24-25-26-29)28(20)16-22(30)27-11-13-31-14-12-27/h2-10,15,21H,11-14,16H2,1H3
InChIKeyRDVPVOIIHHDYIA-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.29
Rot. Bonds4

About 2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone

2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 53046425) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID53046425
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(C2=CC(c3ccccc3)n3nnnc3N2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H24N6O2/c1-17-7-9-19(10-8-17)20-15-21(18-5-3-2-4-6-18)29-23(24-25-26-29)28(20)16-22(30)27-11-13-31-14-12-27/h2-10,15,21H,11-14,16H2,1H3
InChIKeyRDVPVOIIHHDYIA-UHFFFAOYSA-N
XLogP2.29
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
CID 53046537
2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 53046539
2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
CID 95060371
2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
CID 95060131
2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 95060279
2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
CID 53046460
2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid
CID 53214294
2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 53046462
2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 95060189
2-[(7R)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 95060316
N-(4-fluorophenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060245
N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060267

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone (CID 53046425) is 2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone is Cc1ccc(C2=CC(c3ccccc3)n3nnnc3N2CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is RDVPVOIIHHDYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-17-7-9-19(10-8-17)20-15-21(18-5-3-2-4-6-18)29-23(24-25-26-29)28(20)16-22(30)27-11-13-31-14-12-27/h2-10,15,21H,11-14,16H2,1H3.
What are the key properties of 2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone?
2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 416.49 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 53046425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).