2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid

C19H16F2N4O4 — CID 118130779

IUPAC2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid
SMILESCc1cc(OCC(=O)O)ncc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C
InChIInChI=1S/C19H16F2N4O4/c1-10-6-16(29-9-17(26)27)22-8-11(10)15-7-14(24-25(15)2)19(28)23-18-12(20)4-3-5-13(18)21/h3-8H,9H2,1-2H3,(H,23,28)(H,26,27)
InChIKeyOMOPTYMOADTXNT-UHFFFAOYSA-N
MW402.36 g/mol
LogP2.78
Rot. Bonds6

About 2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid

2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid (PubChem CID 118130779) has the molecular formula C19H16F2N4O4 and a molecular weight of 402.36 g/mol. Its IUPAC name is 2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid
PubChem CID118130779
Molecular FormulaC19H16F2N4O4
Molecular Weight402.36 g/mol
Exact Mass402.11
IUPAC Name2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid
SMILESCc1cc(OCC(=O)O)ncc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C
InChIInChI=1S/C19H16F2N4O4/c1-10-6-16(29-9-17(26)27)22-8-11(10)15-7-14(24-25(15)2)19(28)23-18-12(20)4-3-5-13(18)21/h3-8H,9H2,1-2H3,(H,23,28)(H,26,27)
InChIKeyOMOPTYMOADTXNT-UHFFFAOYSA-N
XLogP2.78
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid (CID 118130779) is 2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid is Cc1cc(OCC(=O)O)ncc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C.
What is the InChIKey of 2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid?
The InChIKey is OMOPTYMOADTXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O4/c1-10-6-16(29-9-17(26)27)22-8-11(10)15-7-14(24-25(15)2)19(28)23-18-12(20)4-3-5-13(18)21/h3-8H,9H2,1-2H3,(H,23,28)(H,26,27).
What are the key properties of 2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid?
2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid has a molecular weight of 402.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-[(2,6-difluorophenyl)carbamoyl]-1-methylpyrazol-5-yl]-4-methyl-2-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 118130779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).