4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide

C24H23F2N5O4 — CID 25106375

IUPAC4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
SMILESCn1ccc(NC(=O)c2cc(Oc3cnc(C(=O)N4CC(F)C4)c(F)c3)c3c(c2)OC(C)(C)C3)n1
InChIInChI=1S/C24H23F2N5O4/c1-24(2)9-16-18(6-13(7-19(16)35-24)22(32)28-20-4-5-30(3)29-20)34-15-8-17(26)21(27-10-15)23(33)31-11-14(25)12-31/h4-8,10,14H,9,11-12H2,1-3H3,(H,28,29,32)
InChIKeyYTMZRFHFIDOBES-UHFFFAOYSA-N
MW483.48 g/mol
LogP3.51
Rot. Bonds5

About 4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide

4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide (PubChem CID 25106375) has the molecular formula C24H23F2N5O4 and a molecular weight of 483.48 g/mol. Its IUPAC name is 4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
PubChem CID25106375
Molecular FormulaC24H23F2N5O4
Molecular Weight483.48 g/mol
Exact Mass483.17
IUPAC Name4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
SMILESCn1ccc(NC(=O)c2cc(Oc3cnc(C(=O)N4CC(F)C4)c(F)c3)c3c(c2)OC(C)(C)C3)n1
InChIInChI=1S/C24H23F2N5O4/c1-24(2)9-16-18(6-13(7-19(16)35-24)22(32)28-20-4-5-30(3)29-20)34-15-8-17(26)21(27-10-15)23(33)31-11-14(25)12-31/h4-8,10,14H,9,11-12H2,1-3H3,(H,28,29,32)
InChIKeyYTMZRFHFIDOBES-UHFFFAOYSA-N
XLogP3.51
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The IUPAC name of 4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide (CID 25106375) is 4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide.
What is the SMILES notation for 4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The canonical SMILES for 4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide is Cn1ccc(NC(=O)c2cc(Oc3cnc(C(=O)N4CC(F)C4)c(F)c3)c3c(c2)OC(C)(C)C3)n1.
What is the InChIKey of 4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
The InChIKey is YTMZRFHFIDOBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O4/c1-24(2)9-16-18(6-13(7-19(16)35-24)22(32)28-20-4-5-30(3)29-20)34-15-8-17(26)21(27-10-15)23(33)31-11-14(25)12-31/h4-8,10,14H,9,11-12H2,1-3H3,(H,28,29,32).
What are the key properties of 4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide?
4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide has a molecular weight of 483.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-6-(3-fluoroazetidine-1-carbonyl)-3-pyridinyl]oxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide is sourced from PubChem (CID 25106375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).