[4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

C21H23N5O4 — CID 92627308

IUPAC[4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)c2cc(OC)c(OC)cc2-n2cnnn2)c1
InChIInChI=1S/C21H23N5O4/c1-28-15-7-4-6-14(10-15)17-8-5-9-25(17)21(27)16-11-19(29-2)20(30-3)12-18(16)26-13-22-23-24-26/h4,6-7,10-13,17H,5,8-9H2,1-3H3/t17-/m1/s1
InChIKeySRNUUYLCUPPUCI-QGZVFWFLSA-N
MW409.45 g/mol
LogP2.67
Rot. Bonds6

About [4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

[4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 92627308) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is [4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID92627308
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name[4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)c2cc(OC)c(OC)cc2-n2cnnn2)c1
InChIInChI=1S/C21H23N5O4/c1-28-15-7-4-6-14(10-15)17-8-5-9-25(17)21(27)16-11-19(29-2)20(30-3)12-18(16)26-13-22-23-24-26/h4,6-7,10-13,17H,5,8-9H2,1-3H3/t17-/m1/s1
InChIKeySRNUUYLCUPPUCI-QGZVFWFLSA-N
XLogP2.67
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51929591
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
(3-aminothiophen-2-yl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 61111484
3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 51091748
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(1-pyridin-4-ylpyrazol-3-yl)methanone
CID 166233083
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
[2-(3-methoxyphenyl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131949336
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 42202447

Frequently Asked Questions

What is the IUPAC name of [4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 92627308) is [4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1cccc([C@H]2CCCN2C(=O)c2cc(OC)c(OC)cc2-n2cnnn2)c1.
What is the InChIKey of [4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is SRNUUYLCUPPUCI-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-28-15-7-4-6-14(10-15)17-8-5-9-25(17)21(27)16-11-19(29-2)20(30-3)12-18(16)26-13-22-23-24-26/h4,6-7,10-13,17H,5,8-9H2,1-3H3/t17-/m1/s1.
What are the key properties of [4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
[4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 409.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethoxy-2-(tetrazol-1-yl)phenyl]-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92627308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).