3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one

C20H22N6O — CID 92574610

IUPAC3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@@H]1Cn1nnc(-c2ccccn2)n1
InChIInChI=1S/C20H22N6O/c27-19(12-11-16-7-2-1-3-8-16)25-14-6-9-17(25)15-26-23-20(22-24-26)18-10-4-5-13-21-18/h1-5,7-8,10,13,17H,6,9,11-12,14-15H2/t17-/m1/s1
InChIKeyZCIBFZDHQPFIRZ-QGZVFWFLSA-N
MW362.44 g/mol
LogP2.36
Rot. Bonds6

About 3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one

3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 92574610) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID92574610
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@@H]1Cn1nnc(-c2ccccn2)n1
InChIInChI=1S/C20H22N6O/c27-19(12-11-16-7-2-1-3-8-16)25-14-6-9-17(25)15-26-23-20(22-24-26)18-10-4-5-13-21-18/h1-5,7-8,10,13,17H,6,9,11-12,14-15H2/t17-/m1/s1
InChIKeyZCIBFZDHQPFIRZ-QGZVFWFLSA-N
XLogP2.36
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone
CID 92577777
1-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94799202
2-[2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]tetrazol-5-yl]pyridine
CID 46956638
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 63395803
2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134813305
1-[(2S)-2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 92578282
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 74581521
3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92574587
[2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 46967760
N-benzyl-1-[[1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide
CID 171144050
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 63395853
3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 45211722

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one (CID 92574610) is 3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCC[C@@H]1Cn1nnc(-c2ccccn2)n1.
What is the InChIKey of 3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is ZCIBFZDHQPFIRZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N6O/c27-19(12-11-16-7-2-1-3-8-16)25-14-6-9-17(25)15-26-23-20(22-24-26)18-10-4-5-13-21-18/h1-5,7-8,10,13,17H,6,9,11-12,14-15H2/t17-/m1/s1.
What are the key properties of 3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 362.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 92574610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).