[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C20H17ClFN5O2 — CID 87000792

IUPAC[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H17ClFN5O2/c1-29-19-11-18(27-12-23-24-25-27)17(21)10-16(19)20(28)26-8-6-14(7-9-26)13-2-4-15(22)5-3-13/h2-6,10-12H,7-9H2,1H3
InChIKeyMDJSNCJBBDISGE-UHFFFAOYSA-N
MW413.84 g/mol
LogP3.39
Rot. Bonds4

About [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 87000792) has the molecular formula C20H17ClFN5O2 and a molecular weight of 413.84 g/mol. Its IUPAC name is [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID87000792
Molecular FormulaC20H17ClFN5O2
Molecular Weight413.84 g/mol
Exact Mass413.11
IUPAC Name[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H17ClFN5O2/c1-29-19-11-18(27-12-23-24-25-27)17(21)10-16(19)20(28)26-8-6-14(7-9-26)13-2-4-15(22)5-3-13/h2-6,10-12H,7-9H2,1H3
InChIKeyMDJSNCJBBDISGE-UHFFFAOYSA-N
XLogP3.39
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone 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

[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 55791493
[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 55774799
(5-chloro-4-iodo-2-methoxyphenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112823992
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 131960710
[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-cyclobutylmethanone
CID 56512126
4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 55970735
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]methanone
CID 120809267
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996324
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396075
5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 55775549
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097680
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 87000792) is [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is MDJSNCJBBDISGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O2/c1-29-19-11-18(27-12-23-24-25-27)17(21)10-16(19)20(28)26-8-6-14(7-9-26)13-2-4-15(22)5-3-13/h2-6,10-12H,7-9H2,1H3.
What are the key properties of [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 413.84 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 87000792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).