6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide

C22H19F3N4O2 — CID 11453116

IUPAC6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3n[nH]c(C)c3c2)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1
InChIInChI=1S/C22H19F3N4O2/c1-11-16-9-15(7-8-18(16)29-28-11)27-21(31)20-12(2)26-19(30)10-17(20)13-3-5-14(6-4-13)22(23,24)25/h3-9,17H,10H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyHKWUUOHQLQALHL-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.41
Rot. Bonds3

About 6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide

6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 11453116) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID11453116
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3n[nH]c(C)c3c2)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1
InChIInChI=1S/C22H19F3N4O2/c1-11-16-9-15(7-8-18(16)29-28-11)27-21(31)20-12(2)26-19(30)10-17(20)13-3-5-14(6-4-13)22(23,24)25/h3-9,17H,10H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyHKWUUOHQLQALHL-UHFFFAOYSA-N
XLogP4.41
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of 6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide (CID 11453116) is 6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for 6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide is CC1=C(C(=O)Nc2ccc3n[nH]c(C)c3c2)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1.
What is the InChIKey of 6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is HKWUUOHQLQALHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-11-16-9-15(7-8-18(16)29-28-11)27-21(31)20-12(2)26-19(30)10-17(20)13-3-5-14(6-4-13)22(23,24)25/h3-9,17H,10H2,1-2H3,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of 6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide?
6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methyl-2H-indazol-5-yl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 11453116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).