7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole

C16H23N7O — CID 70883568

IUPAC7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole
SMILESCC1(C)N(CCCn2ccnc2)C([C@@H]2CCC=CO2)c2nnnn21
InChIInChI=1S/C16H23N7O/c1-16(2)22(9-5-8-21-10-7-17-12-21)14(13-6-3-4-11-24-13)15-18-19-20-23(15)16/h4,7,10-14H,3,5-6,8-9H2,1-2H3/t13-,14?/m0/s1
InChIKeyZPXXHVGWFLILRH-LSLKUGRBSA-N
MW329.41 g/mol
LogP1.70
Rot. Bonds5

About 7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole

7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole (PubChem CID 70883568) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole.

Molecular Properties

Compound Name7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole
PubChem CID70883568
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole
SMILESCC1(C)N(CCCn2ccnc2)C([C@@H]2CCC=CO2)c2nnnn21
InChIInChI=1S/C16H23N7O/c1-16(2)22(9-5-8-21-10-7-17-12-21)14(13-6-3-4-11-24-13)15-18-19-20-23(15)16/h4,7,10-14H,3,5-6,8-9H2,1-2H3/t13-,14?/m0/s1
InChIKeyZPXXHVGWFLILRH-LSLKUGRBSA-N
XLogP1.70
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole with MolForge

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Related Compounds

5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one
CID 135871050
5-(3,4-dihydro-2H-pyran-2-yl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 123906892
2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one
CID 143667440
5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-[2-oxo-2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-yl)ethyl]iminoimidazolidin-2-one
CID 143667510
1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64881186
5-(benzhydrylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91279356
3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64880578
5-cyclopropyl-1-(3-imidazol-1-ylpropyl)-2,2-dimethylpiperazine
CID 64862252
5-(3-imidazol-1-ylpropyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244413
1-[2-[4-butyl-2-[2-(4-ethylphenyl)ethyl]-1,3-dithian-2-yl]ethyl]imidazole
CID 20518379
N-[[1-(3-imidazol-1-ylpropyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 61493166
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
CID 65083611

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole?
The IUPAC name of 7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole (CID 70883568) is 7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole.
What is the SMILES notation for 7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole?
The canonical SMILES for 7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole is CC1(C)N(CCCn2ccnc2)C([C@@H]2CCC=CO2)c2nnnn21.
What is the InChIKey of 7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole?
The InChIKey is ZPXXHVGWFLILRH-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H23N7O/c1-16(2)22(9-5-8-21-10-7-17-12-21)14(13-6-3-4-11-24-13)15-18-19-20-23(15)16/h4,7,10-14H,3,5-6,8-9H2,1-2H3/t13-,14?/m0/s1.
What are the key properties of 7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole?
7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole has a molecular weight of 329.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole is sourced from PubChem (CID 70883568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).