N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide

C23H24N6O — CID 53046416

IUPACN-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESO=C(CN1C(c2ccccc2)=CC(c2ccccc2)n2nnnc21)NC1CCCC1
InChIInChI=1S/C23H24N6O/c30-22(24-19-13-7-8-14-19)16-28-20(17-9-3-1-4-10-17)15-21(18-11-5-2-6-12-18)29-23(28)25-26-27-29/h1-6,9-12,15,19,21H,7-8,13-14,16H2,(H,24,30)
InChIKeyDWLSYGJPPVVRSR-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.18
Rot. Bonds5

About N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide

N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide (PubChem CID 53046416) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide
PubChem CID53046416
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESO=C(CN1C(c2ccccc2)=CC(c2ccccc2)n2nnnc21)NC1CCCC1
InChIInChI=1S/C23H24N6O/c30-22(24-19-13-7-8-14-19)16-28-20(17-9-3-1-4-10-17)15-21(18-11-5-2-6-12-18)29-23(28)25-26-27-29/h1-6,9-12,15,19,21H,7-8,13-14,16H2,(H,24,30)
InChIKeyDWLSYGJPPVVRSR-UHFFFAOYSA-N
XLogP3.18
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 53046408
2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95060194
2-[(7R)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
CID 95060131
N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060249
2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid
CID 53214294
N-(4-fluorophenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060245
2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
CID 95060371
2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
CID 53046460
2-[7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 53046598
N-(3,4-dimethylphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060259
N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060267
N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060243

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide (CID 53046416) is N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide is O=C(CN1C(c2ccccc2)=CC(c2ccccc2)n2nnnc21)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The InChIKey is DWLSYGJPPVVRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c30-22(24-19-13-7-8-14-19)16-28-20(17-9-3-1-4-10-17)15-21(18-11-5-2-6-12-18)29-23(28)25-26-27-29/h1-6,9-12,15,19,21H,7-8,13-14,16H2,(H,24,30).
What are the key properties of N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide?
N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide has a molecular weight of 400.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 53046416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).