4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C20H15F3N4O2 — CID 11177047

IUPAC4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(F)cc2F)CC(=O)N1
InChIInChI=1S/C20H15F3N4O2/c1-9-19(13(6-18(28)25-9)12-3-2-11(21)5-14(12)22)20(29)26-17-4-10-8-24-27-16(10)7-15(17)23/h2-5,7-8,13H,6H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyZWRRIRSJUQJDHB-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.50
Rot. Bonds3

About 4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 11177047) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID11177047
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(F)cc2F)CC(=O)N1
InChIInChI=1S/C20H15F3N4O2/c1-9-19(13(6-18(28)25-9)12-3-2-11(21)5-14(12)22)20(29)26-17-4-10-8-24-27-16(10)7-15(17)23/h2-5,7-8,13H,6H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyZWRRIRSJUQJDHB-UHFFFAOYSA-N
XLogP3.50
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 11177047) is 4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(F)cc2F)CC(=O)N1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is ZWRRIRSJUQJDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-9-19(13(6-18(28)25-9)12-3-2-11(21)5-14(12)22)20(29)26-17-4-10-8-24-27-16(10)7-15(17)23/h2-5,7-8,13H,6H2,1H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 11177047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).