N-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide

C20H20FN5O3S — CID 53179280

IUPACN-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCC4)cn3)cn2)ccc1F
InChIInChI=1S/C20H20FN5O3S/c1-14-10-15(4-6-17(14)21)24-20(27)18-12-25(13-23-18)19-7-5-16(11-22-19)30(28,29)26-8-2-3-9-26/h4-7,10-13H,2-3,8-9H2,1H3,(H,24,27)
InChIKeyFFEYRUOPVONYNY-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.75
Rot. Bonds5

About N-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide

N-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide (PubChem CID 53179280) has the molecular formula C20H20FN5O3S and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
PubChem CID53179280
Molecular FormulaC20H20FN5O3S
Molecular Weight429.48 g/mol
Exact Mass429.13
IUPAC NameN-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCC4)cn3)cn2)ccc1F
InChIInChI=1S/C20H20FN5O3S/c1-14-10-15(4-6-17(14)21)24-20(27)18-12-25(13-23-18)19-7-5-16(11-22-19)30(28,29)26-8-2-3-9-26/h4-7,10-13H,2-3,8-9H2,1H3,(H,24,27)
InChIKeyFFEYRUOPVONYNY-UHFFFAOYSA-N
XLogP2.75
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide (CID 53179280) is N-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide is Cc1cc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCC4)cn3)cn2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide?
The InChIKey is FFEYRUOPVONYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3S/c1-14-10-15(4-6-17(14)21)24-20(27)18-12-25(13-23-18)19-7-5-16(11-22-19)30(28,29)26-8-2-3-9-26/h4-7,10-13H,2-3,8-9H2,1H3,(H,24,27).
What are the key properties of N-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide?
N-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 53179280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).