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

C21H17ClFN5O2S — CID 18728135

IUPACN-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide
SMILESCN1CCN=C1c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C21H17ClFN5O2S/c1-28-8-7-24-19(28)12-2-4-14(15(23)10-12)20(29)26-16-6-9-31-18(16)21(30)27-17-5-3-13(22)11-25-17/h2-6,9-11H,7-8H2,1H3,(H,26,29)(H,25,27,30)
InChIKeyQOHCUNWCUYTQKG-UHFFFAOYSA-N
MW457.92 g/mol
LogP4.13
Rot. Bonds5

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

N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide (PubChem CID 18728135) has the molecular formula C21H17ClFN5O2S and a molecular weight of 457.92 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide
PubChem CID18728135
Molecular FormulaC21H17ClFN5O2S
Molecular Weight457.92 g/mol
Exact Mass457.08
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide
SMILESCN1CCN=C1c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C21H17ClFN5O2S/c1-28-8-7-24-19(28)12-2-4-14(15(23)10-12)20(29)26-16-6-9-31-18(16)21(30)27-17-5-3-13(22)11-25-17/h2-6,9-11H,7-8H2,1H3,(H,26,29)(H,25,27,30)
InChIKeyQOHCUNWCUYTQKG-UHFFFAOYSA-N
XLogP4.13
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide (CID 18728135) is N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide is CN1CCN=C1c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide?
The InChIKey is QOHCUNWCUYTQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O2S/c1-28-8-7-24-19(28)12-2-4-14(15(23)10-12)20(29)26-16-6-9-31-18(16)21(30)27-17-5-3-13(22)11-25-17/h2-6,9-11H,7-8H2,1H3,(H,26,29)(H,25,27,30).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 18728135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).