2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide

C24H21FN6O3 — CID 67400337

IUPAC2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
SMILESCc1cc(NC(=O)NC(=O)Cc2ccc(F)cc2)ncc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C24H21FN6O3/c1-15-9-22(29-24(33)30-23(32)10-16-3-5-18(25)6-4-16)27-13-21(15)34-19-7-8-26-20(11-19)17-12-28-31(2)14-17/h3-9,11-14H,10H2,1-2H3,(H2,27,29,30,32,33)
InChIKeyZXAMVJNNDJRGFG-UHFFFAOYSA-N
MW460.47 g/mol
LogP4.01
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide

2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide (PubChem CID 67400337) has the molecular formula C24H21FN6O3 and a molecular weight of 460.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
PubChem CID67400337
Molecular FormulaC24H21FN6O3
Molecular Weight460.47 g/mol
Exact Mass460.17
IUPAC Name2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
SMILESCc1cc(NC(=O)NC(=O)Cc2ccc(F)cc2)ncc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C24H21FN6O3/c1-15-9-22(29-24(33)30-23(32)10-16-3-5-18(25)6-4-16)27-13-21(15)34-19-7-8-26-20(11-19)17-12-28-31(2)14-17/h3-9,11-14H,10H2,1-2H3,(H2,27,29,30,32,33)
InChIKeyZXAMVJNNDJRGFG-UHFFFAOYSA-N
XLogP4.01
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide (CID 67400337) is 2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide is Cc1cc(NC(=O)NC(=O)Cc2ccc(F)cc2)ncc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide?
The InChIKey is ZXAMVJNNDJRGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3/c1-15-9-22(29-24(33)30-23(32)10-16-3-5-18(25)6-4-16)27-13-21(15)34-19-7-8-26-20(11-19)17-12-28-31(2)14-17/h3-9,11-14H,10H2,1-2H3,(H2,27,29,30,32,33).
What are the key properties of 2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide?
2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide has a molecular weight of 460.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide is sourced from PubChem (CID 67400337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).