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

C20H16F2N4O3 — CID 11418102

IUPAC4-(2-fluoro-5-hydroxyphenyl)-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(c2cc(O)ccc2F)CC(=O)N1
InChIInChI=1S/C20H16F2N4O3/c1-9-19(13(6-18(28)24-9)12-5-11(27)2-3-14(12)21)20(29)25-17-4-10-8-23-26-16(10)7-15(17)22/h2-5,7-8,13,27H,6H2,1H3,(H,23,26)(H,24,28)(H,25,29)
InChIKeyKRDJLBGNVPLQPI-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.06
Rot. Bonds3

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

4-(2-fluoro-5-hydroxyphenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 11418102) has the molecular formula C20H16F2N4O3 and a molecular weight of 398.37 g/mol. Its IUPAC name is 4-(2-fluoro-5-hydroxyphenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-5-hydroxyphenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID11418102
Molecular FormulaC20H16F2N4O3
Molecular Weight398.37 g/mol
Exact Mass398.12
IUPAC Name4-(2-fluoro-5-hydroxyphenyl)-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(c2cc(O)ccc2F)CC(=O)N1
InChIInChI=1S/C20H16F2N4O3/c1-9-19(13(6-18(28)24-9)12-5-11(27)2-3-14(12)21)20(29)25-17-4-10-8-23-26-16(10)7-15(17)22/h2-5,7-8,13,27H,6H2,1H3,(H,23,26)(H,24,28)(H,25,29)
InChIKeyKRDJLBGNVPLQPI-UHFFFAOYSA-N
XLogP3.06
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-hydroxyphenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of 4-(2-fluoro-5-hydroxyphenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 11418102) is 4-(2-fluoro-5-hydroxyphenyl)-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-fluoro-5-hydroxyphenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for 4-(2-fluoro-5-hydroxyphenyl)-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(c2cc(O)ccc2F)CC(=O)N1.
What is the InChIKey of 4-(2-fluoro-5-hydroxyphenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is KRDJLBGNVPLQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3/c1-9-19(13(6-18(28)24-9)12-5-11(27)2-3-14(12)21)20(29)25-17-4-10-8-23-26-16(10)7-15(17)22/h2-5,7-8,13,27H,6H2,1H3,(H,23,26)(H,24,28)(H,25,29).
What are the key properties of 4-(2-fluoro-5-hydroxyphenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
4-(2-fluoro-5-hydroxyphenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 398.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-hydroxyphenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 11418102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).