(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one

C24H30FN7O2 — CID 137102370

IUPAC(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one
SMILESCCCCCc1ccc([C@]2(C)CC(c3ccn(C(C)C)n3)=C(n3nn[nH]c3=O)C(=O)N2)c(F)c1
InChIInChI=1S/C24H30FN7O2/c1-5-6-7-8-16-9-10-18(19(25)13-16)24(4)14-17(20-11-12-31(28-20)15(2)3)21(22(33)26-24)32-23(34)27-29-30-32/h9-13,15H,5-8,14H2,1-4H3,(H,26,33)(H,27,30,34)/t24-/m0/s1
InChIKeyDPAMPBPYZPYKTJ-DEOSSOPVSA-N
MW467.55 g/mol
LogP3.42
Rot. Bonds8

About (2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one

(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one (PubChem CID 137102370) has the molecular formula C24H30FN7O2 and a molecular weight of 467.55 g/mol. Its IUPAC name is (2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one
PubChem CID137102370
Molecular FormulaC24H30FN7O2
Molecular Weight467.55 g/mol
Exact Mass467.24
IUPAC Name(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one
SMILESCCCCCc1ccc([C@]2(C)CC(c3ccn(C(C)C)n3)=C(n3nn[nH]c3=O)C(=O)N2)c(F)c1
InChIInChI=1S/C24H30FN7O2/c1-5-6-7-8-16-9-10-18(19(25)13-16)24(4)14-17(20-11-12-31(28-20)15(2)3)21(22(33)26-24)32-23(34)27-29-30-32/h9-13,15H,5-8,14H2,1-4H3,(H,26,33)(H,27,30,34)/t24-/m0/s1
InChIKeyDPAMPBPYZPYKTJ-DEOSSOPVSA-N
XLogP3.42
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-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

N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135632208
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 16286690
N-[1-(4-isobutylbenzyl)-3-piperidinyl]-2-(3-methyl-1H-pyrazol-1-yl)acetamide
CID 24818965
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]acrylamide
CID 5349587
2-(1-Heptylpyrazol-3-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
CID 89599416
(2S)-2-[2-fluoro-4-(5,5,5-trifluoropentyl)phenyl]-4-(1-propan-2-ylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-(trifluoromethyl)-1,3-dihydropyridin-6-one
CID 134823395
US10093650, Example 12
CID 136970061
US10093650, Example 11
CID 136970064
US10093650, Example 13
CID 136970072
US10093650, Example 20
CID 136970074
US10093650, Example 10
CID 137477506
(2S,4R)-4-fluoro-1-[2-(3-methylpyrazol-1-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165138600

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one?
The IUPAC name of (2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one (CID 137102370) is (2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one.
What is the SMILES notation for (2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one?
The canonical SMILES for (2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one is CCCCCc1ccc([C@]2(C)CC(c3ccn(C(C)C)n3)=C(n3nn[nH]c3=O)C(=O)N2)c(F)c1.
What is the InChIKey of (2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one?
The InChIKey is DPAMPBPYZPYKTJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30FN7O2/c1-5-6-7-8-16-9-10-18(19(25)13-16)24(4)14-17(20-11-12-31(28-20)15(2)3)21(22(33)26-24)32-23(34)27-29-30-32/h9-13,15H,5-8,14H2,1-4H3,(H,26,33)(H,27,30,34)/t24-/m0/s1.
What are the key properties of (2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one?
(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one has a molecular weight of 467.55 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one is sourced from PubChem (CID 137102370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).