2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone

C23H24N6O — CID 95060131

IUPAC2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1C(c2ccccc2)=C[C@H](c2ccccc2)n2nnnc21)N1CCCCC1
InChIInChI=1S/C23H24N6O/c30-22(27-14-8-3-9-15-27)17-28-20(18-10-4-1-5-11-18)16-21(19-12-6-2-7-13-19)29-23(28)24-25-26-29/h1-2,4-7,10-13,16,21H,3,8-9,14-15,17H2/t21-/m1/s1
InChIKeyOXRXITVFCANGSD-OAQYLSRUSA-N
MW400.49 g/mol
LogP3.14
Rot. Bonds4

About 2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone

2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone (PubChem CID 95060131) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
PubChem CID95060131
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1C(c2ccccc2)=C[C@H](c2ccccc2)n2nnnc21)N1CCCCC1
InChIInChI=1S/C23H24N6O/c30-22(27-14-8-3-9-15-27)17-28-20(18-10-4-1-5-11-18)16-21(19-12-6-2-7-13-19)29-23(28)24-25-26-29/h1-2,4-7,10-13,16,21H,3,8-9,14-15,17H2/t21-/m1/s1
InChIKeyOXRXITVFCANGSD-OAQYLSRUSA-N
XLogP3.14
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
CID 53046460
2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
CID 95060371
2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 95060189
2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
CID 53046425
2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 53046462
2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 53046539
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
N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 53046416
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
2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
CID 53046537
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 95060283
2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid
CID 53214294

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone (CID 95060131) is 2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone is O=C(CN1C(c2ccccc2)=C[C@H](c2ccccc2)n2nnnc21)N1CCCCC1.
What is the InChIKey of 2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone?
The InChIKey is OXRXITVFCANGSD-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N6O/c30-22(27-14-8-3-9-15-27)17-28-20(18-10-4-1-5-11-18)16-21(19-12-6-2-7-13-19)29-23(28)24-25-26-29/h1-2,4-7,10-13,16,21H,3,8-9,14-15,17H2/t21-/m1/s1.
What are the key properties of 2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone?
2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone has a molecular weight of 400.49 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 95060131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).