2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide

C22H20F5N5O2 — CID 71059857

IUPAC2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide
SMILESCCC(=O)NCc1cnc(C(F)F)c(C(=O)Nc2nc(-c3ccc(C(F)(F)F)cc3)c(C)[nH]2)c1
InChIInChI=1S/C22H20F5N5O2/c1-3-16(33)28-9-12-8-15(18(19(23)24)29-10-12)20(34)32-21-30-11(2)17(31-21)13-4-6-14(7-5-13)22(25,26)27/h4-8,10,19H,3,9H2,1-2H3,(H,28,33)(H2,30,31,32,34)
InChIKeyTZFQDPLANIAZLL-UHFFFAOYSA-N
MW481.43 g/mol
LogP5.02
Rot. Bonds7

About 2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide

2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide (PubChem CID 71059857) has the molecular formula C22H20F5N5O2 and a molecular weight of 481.43 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide
PubChem CID71059857
Molecular FormulaC22H20F5N5O2
Molecular Weight481.43 g/mol
Exact Mass481.15
IUPAC Name2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide
SMILESCCC(=O)NCc1cnc(C(F)F)c(C(=O)Nc2nc(-c3ccc(C(F)(F)F)cc3)c(C)[nH]2)c1
InChIInChI=1S/C22H20F5N5O2/c1-3-16(33)28-9-12-8-15(18(19(23)24)29-10-12)20(34)32-21-30-11(2)17(31-21)13-4-6-14(7-5-13)22(25,26)27/h4-8,10,19H,3,9H2,1-2H3,(H,28,33)(H2,30,31,32,34)
InChIKeyTZFQDPLANIAZLL-UHFFFAOYSA-N
XLogP5.02
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.43
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide (CID 71059857) is 2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide is CCC(=O)NCc1cnc(C(F)F)c(C(=O)Nc2nc(-c3ccc(C(F)(F)F)cc3)c(C)[nH]2)c1.
What is the InChIKey of 2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide?
The InChIKey is TZFQDPLANIAZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F5N5O2/c1-3-16(33)28-9-12-8-15(18(19(23)24)29-10-12)20(34)32-21-30-11(2)17(31-21)13-4-6-14(7-5-13)22(25,26)27/h4-8,10,19H,3,9H2,1-2H3,(H,28,33)(H2,30,31,32,34).
What are the key properties of 2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide?
2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide has a molecular weight of 481.43 g/mol, XLogP of 5.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 71059857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).