[5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate

C26H29N7O2 — CID 90407889

IUPAC[5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCn1nnc(-c2ccnc(-c3cn(CC4CCCc5ccccc54)cn3)c2)n1
InChIInChI=1S/C26H29N7O2/c1-26(2,3)25(34)35-17-33-30-24(29-31-33)19-11-12-27-22(13-19)23-15-32(16-28-23)14-20-9-6-8-18-7-4-5-10-21(18)20/h4-5,7,10-13,15-16,20H,6,8-9,14,17H2,1-3H3
InChIKeyLZDWHZZVDNFJGO-UHFFFAOYSA-N
MW471.57 g/mol
LogP4.27
Rot. Bonds6

About [5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate

[5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 90407889) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is [5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID90407889
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name[5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCn1nnc(-c2ccnc(-c3cn(CC4CCCc5ccccc54)cn3)c2)n1
InChIInChI=1S/C26H29N7O2/c1-26(2,3)25(34)35-17-33-30-24(29-31-33)19-11-12-27-22(13-19)23-15-32(16-28-23)14-20-9-6-8-18-7-4-5-10-21(18)20/h4-5,7,10-13,15-16,20H,6,8-9,14,17H2,1-3H3
InChIKeyLZDWHZZVDNFJGO-UHFFFAOYSA-N
XLogP4.27
TPSA100.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine
CID 170196510
2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288343
2-[1-[[(1S)-5-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288341
2-[1-[(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460642
4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine
CID 166968719
2-[1-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2,3-dihydro-1H-triazol-4-yl]pyridine
CID 118971719
2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288329
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid
CID 79104229
2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 118971648
2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 51113096
2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one
CID 79108436
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid
CID 65172704

Frequently Asked Questions

What is the IUPAC name of [5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate (CID 90407889) is [5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCn1nnc(-c2ccnc(-c3cn(CC4CCCc5ccccc54)cn3)c2)n1.
What is the InChIKey of [5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is LZDWHZZVDNFJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-26(2,3)25(34)35-17-33-30-24(29-31-33)19-11-12-27-22(13-19)23-15-32(16-28-23)14-20-9-6-8-18-7-4-5-10-21(18)20/h4-5,7,10-13,15-16,20H,6,8-9,14,17H2,1-3H3.
What are the key properties of [5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate?
[5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 471.57 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 90407889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).