N-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide

C23H16BrF2N5O3 — CID 25116074

IUPACN-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide
SMILESCn1nccc1NC(=O)c1ccc(Br)c(NC(=O)c2ccc(=O)n(-c3c(F)cccc3F)c2)c1
InChIInChI=1S/C23H16BrF2N5O3/c1-30-19(9-10-27-30)29-22(33)13-5-7-15(24)18(11-13)28-23(34)14-6-8-20(32)31(12-14)21-16(25)3-2-4-17(21)26/h2-12H,1H3,(H,28,34)(H,29,33)
InChIKeyGAUULRPHKFQGIC-UHFFFAOYSA-N
MW528.31 g/mol
LogP4.12
Rot. Bonds5

About N-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide

N-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide (PubChem CID 25116074) has the molecular formula C23H16BrF2N5O3 and a molecular weight of 528.31 g/mol. Its IUPAC name is N-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide
PubChem CID25116074
Molecular FormulaC23H16BrF2N5O3
Molecular Weight528.31 g/mol
Exact Mass527.04
IUPAC NameN-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide
SMILESCn1nccc1NC(=O)c1ccc(Br)c(NC(=O)c2ccc(=O)n(-c3c(F)cccc3F)c2)c1
InChIInChI=1S/C23H16BrF2N5O3/c1-30-19(9-10-27-30)29-22(33)13-5-7-15(24)18(11-13)28-23(34)14-6-8-20(32)31(12-14)21-16(25)3-2-4-17(21)26/h2-12H,1H3,(H,28,34)(H,29,33)
InChIKeyGAUULRPHKFQGIC-UHFFFAOYSA-N
XLogP4.12
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.31
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide (CID 25116074) is N-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide is Cn1nccc1NC(=O)c1ccc(Br)c(NC(=O)c2ccc(=O)n(-c3c(F)cccc3F)c2)c1.
What is the InChIKey of N-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is GAUULRPHKFQGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrF2N5O3/c1-30-19(9-10-27-30)29-22(33)13-5-7-15(24)18(11-13)28-23(34)14-6-8-20(32)31(12-14)21-16(25)3-2-4-17(21)26/h2-12H,1H3,(H,28,34)(H,29,33).
What are the key properties of N-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide?
N-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 528.31 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 25116074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).