(2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one

C21H21N5O — CID 38298963

IUPAC(2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one
SMILESO=C([C@@H](Cc1ccccc1)n1cnnn1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H21N5O/c27-21(25-13-11-19(12-14-25)18-9-5-2-6-10-18)20(26-16-22-23-24-26)15-17-7-3-1-4-8-17/h1-11,16,20H,12-15H2/t20-/m1/s1
InChIKeyXCTQGXDEFGVUJW-HXUWFJFHSA-N
MW359.43 g/mol
LogP2.77
Rot. Bonds5

About (2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one

(2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one (PubChem CID 38298963) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is (2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one
PubChem CID38298963
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name(2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one
SMILESO=C([C@@H](Cc1ccccc1)n1cnnn1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H21N5O/c27-21(25-13-11-19(12-14-25)18-9-5-2-6-10-18)20(26-16-22-23-24-26)15-17-7-3-1-4-8-17/h1-11,16,20H,12-15H2/t20-/m1/s1
InChIKeyXCTQGXDEFGVUJW-HXUWFJFHSA-N
XLogP2.77
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-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-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 55730425
(2S)-1-(4-benzylpiperazin-1-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 32831551
(2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 126449481
(2S)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 126449480
(2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 94551515
(2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 95402920
2-[(2R)-1-oxo-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]-3H-isoindol-1-one
CID 92688562
1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 46448815
1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 55496660
(2R)-1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 124838639
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 131891349
(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 33366690

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
The IUPAC name of (2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one (CID 38298963) is (2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for (2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one is O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
The InChIKey is XCTQGXDEFGVUJW-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21N5O/c27-21(25-13-11-19(12-14-25)18-9-5-2-6-10-18)20(26-16-22-23-24-26)15-17-7-3-1-4-8-17/h1-11,16,20H,12-15H2/t20-/m1/s1.
What are the key properties of (2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
(2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one has a molecular weight of 359.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 38298963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).