3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide

C22H20FN5O2S — CID 70670841

IUPAC3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2NC(=O)c2ccc(C3=NCCN3C)cc2F)nc1
InChIInChI=1S/C22H20FN5O2S/c1-13-3-6-18(25-12-13)27-22(30)19-17(7-10-31-19)26-21(29)15-5-4-14(11-16(15)23)20-24-8-9-28(20)2/h3-7,10-12H,8-9H2,1-2H3,(H,26,29)(H,25,27,30)
InChIKeyVHCGOGWFXGVZDH-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.79
Rot. Bonds5

About 3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide

3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 70670841) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
PubChem CID70670841
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC Name3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2NC(=O)c2ccc(C3=NCCN3C)cc2F)nc1
InChIInChI=1S/C22H20FN5O2S/c1-13-3-6-18(25-12-13)27-22(30)19-17(7-10-31-19)26-21(29)15-5-4-14(11-16(15)23)20-24-8-9-28(20)2/h3-7,10-12H,8-9H2,1-2H3,(H,26,29)(H,25,27,30)
InChIKeyVHCGOGWFXGVZDH-UHFFFAOYSA-N
XLogP3.79
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide (CID 70670841) is 3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2sccc2NC(=O)c2ccc(C3=NCCN3C)cc2F)nc1.
What is the InChIKey of 3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is VHCGOGWFXGVZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c1-13-3-6-18(25-12-13)27-22(30)19-17(7-10-31-19)26-21(29)15-5-4-14(11-16(15)23)20-24-8-9-28(20)2/h3-7,10-12H,8-9H2,1-2H3,(H,26,29)(H,25,27,30).
What are the key properties of 3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 70670841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).