1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide

C27H20F2N4O2 — CID 59362378

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(NCc1cccc(-c2ccc3[nH]ncc3c2)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C27H20F2N4O2/c28-23-8-6-18(12-24(23)29)16-33-10-2-5-22(27(33)35)26(34)30-14-17-3-1-4-19(11-17)20-7-9-25-21(13-20)15-31-32-25/h1-13,15H,14,16H2,(H,30,34)(H,31,32)
InChIKeyWZVVZDICZDBYQB-UHFFFAOYSA-N
MW470.48 g/mol
LogP4.65
Rot. Bonds6

About 1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 59362378) has the molecular formula C27H20F2N4O2 and a molecular weight of 470.48 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID59362378
Molecular FormulaC27H20F2N4O2
Molecular Weight470.48 g/mol
Exact Mass470.16
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(NCc1cccc(-c2ccc3[nH]ncc3c2)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C27H20F2N4O2/c28-23-8-6-18(12-24(23)29)16-33-10-2-5-22(27(33)35)26(34)30-14-17-3-1-4-19(11-17)20-7-9-25-21(13-20)15-31-32-25/h1-13,15H,14,16H2,(H,30,34)(H,31,32)
InChIKeyWZVVZDICZDBYQB-UHFFFAOYSA-N
XLogP4.65
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide (CID 59362378) is 1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide is O=C(NCc1cccc(-c2ccc3[nH]ncc3c2)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is WZVVZDICZDBYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O2/c28-23-8-6-18(12-24(23)29)16-33-10-2-5-22(27(33)35)26(34)30-14-17-3-1-4-19(11-17)20-7-9-25-21(13-20)15-31-32-25/h1-13,15H,14,16H2,(H,30,34)(H,31,32).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[[3-(1H-indazol-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59362378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).