N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

C22H21FN6O2 — CID 56532813

IUPACN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)Nc3cc(-n4nnnc4C)ccc3F)c2C)cc1
InChIInChI=1S/C22H21FN6O2/c1-13-11-19(14(2)28(13)16-5-8-18(31-4)9-6-16)22(30)24-21-12-17(7-10-20(21)23)29-15(3)25-26-27-29/h5-12H,1-4H3,(H,24,30)
InChIKeyBAQQARUOBAQACC-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.78
Rot. Bonds5

About N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 56532813) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID56532813
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)Nc3cc(-n4nnnc4C)ccc3F)c2C)cc1
InChIInChI=1S/C22H21FN6O2/c1-13-11-19(14(2)28(13)16-5-8-18(31-4)9-6-16)22(30)24-21-12-17(7-10-20(21)23)29-15(3)25-26-27-29/h5-12H,1-4H3,(H,24,30)
InChIKeyBAQQARUOBAQACC-UHFFFAOYSA-N
XLogP3.78
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 56571773
N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 34319459
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56568506
1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55933864
2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119171465
2-(2,4-dimethylphenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-5-methyltriazole-4-carboxamide
CID 56568386
2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 56568481
1-(4-bromophenyl)-N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56572905
N-[4-(diethylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 24560612
1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 56532758
N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 35864833
N-[1-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 56571805

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (CID 56532813) is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is COc1ccc(-n2c(C)cc(C(=O)Nc3cc(-n4nnnc4C)ccc3F)c2C)cc1.
What is the InChIKey of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is BAQQARUOBAQACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-13-11-19(14(2)28(13)16-5-8-18(31-4)9-6-16)22(30)24-21-12-17(7-10-20(21)23)29-15(3)25-26-27-29/h5-12H,1-4H3,(H,24,30).
What are the key properties of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 56532813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).