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

C23H24N6O2 — CID 95060234

IUPAC2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(C2=C[C@@H](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/t21-/m0/s1
InChIKeyRDVPVOIIHHDYIA-NRFANRHFSA-N
MW416.49 g/mol
LogP2.29
Rot. Bonds4

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

2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 95060234) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID95060234
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(C2=C[C@@H](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/t21-/m0/s1
InChIKeyRDVPVOIIHHDYIA-NRFANRHFSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone (CID 95060234) is 2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone is Cc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is RDVPVOIIHHDYIA-NRFANRHFSA-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/t21-/m0/s1.
What are the key properties of 2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone?
2-[(7S)-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-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 95060234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).