2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide

C26H30N6O — CID 95060519

IUPAC2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide
SMILESCc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H30N6O/c1-18-8-12-20(13-9-18)23-16-24(21-14-10-19(2)11-15-21)32-26(28-29-30-32)31(23)17-25(33)27-22-6-4-3-5-7-22/h8-16,22,24H,3-7,17H2,1-2H3,(H,27,33)/t24-/m0/s1
InChIKeyHCDIIFZCQHDMAD-DEOSSOPVSA-N
MW442.57 g/mol
LogP4.19
Rot. Bonds5

About 2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide

2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide (PubChem CID 95060519) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide
PubChem CID95060519
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide
SMILESCc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H30N6O/c1-18-8-12-20(13-9-18)23-16-24(21-14-10-19(2)11-15-21)32-26(28-29-30-32)31(23)17-25(33)27-22-6-4-3-5-7-22/h8-16,22,24H,3-7,17H2,1-2H3,(H,27,33)/t24-/m0/s1
InChIKeyHCDIIFZCQHDMAD-DEOSSOPVSA-N
XLogP4.19
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide (CID 95060519) is 2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide is Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide?
The InChIKey is HCDIIFZCQHDMAD-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H30N6O/c1-18-8-12-20(13-9-18)23-16-24(21-14-10-19(2)11-15-21)32-26(28-29-30-32)31(23)17-25(33)27-22-6-4-3-5-7-22/h8-16,22,24H,3-7,17H2,1-2H3,(H,27,33)/t24-/m0/s1.
What are the key properties of 2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide?
2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide has a molecular weight of 442.57 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 95060519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).