1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C20H17FN4O4 — CID 59322773

IUPAC1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)C4(C(=O)O)CC4)c(F)c3)ccn2)cn1
InChIInChI=1S/C20H17FN4O4/c1-25-11-12(10-23-25)17-9-14(4-7-22-17)29-13-2-3-16(15(21)8-13)24-18(26)20(5-6-20)19(27)28/h2-4,7-11H,5-6H2,1H3,(H,24,26)(H,27,28)
InChIKeyISUDVYMBQDWBQZ-UHFFFAOYSA-N
MW396.38 g/mol
LogP3.22
Rot. Bonds6

About 1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid

1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 59322773) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is 1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID59322773
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC Name1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)C4(C(=O)O)CC4)c(F)c3)ccn2)cn1
InChIInChI=1S/C20H17FN4O4/c1-25-11-12(10-23-25)17-9-14(4-7-22-17)29-13-2-3-16(15(21)8-13)24-18(26)20(5-6-20)19(27)28/h2-4,7-11H,5-6H2,1H3,(H,24,26)(H,27,28)
InChIKeyISUDVYMBQDWBQZ-UHFFFAOYSA-N
XLogP3.22
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-cyclopentyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 25242544
N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-formylcyclopropane-1-carboxamide
CID 89461170
1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)urea
CID 66729319
1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea
CID 66729486
1-(1-tert-butyl-3-isoquinolin-6-ylpyrazol-4-yl)-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 69295495
1-(3-chloro-5-morpholin-4-ylphenyl)-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 66729164
1-N'-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 67410582
1-N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-N'-[(1S)-1-(4-fluorophenyl)propyl]cyclopropane-1,1-dicarboxamide
CID 67397471
1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]urea
CID 67252698
1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[5-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrol-3-yl]urea
CID 67252569
1-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[5-(4-fluorophenoxy)-2H-indazol-3-yl]urea
CID 137031766
1-[2-fluoro-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(5-propan-2-yl-3-pyridinyl)urea
CID 66729200

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 59322773) is 1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid is Cn1cc(-c2cc(Oc3ccc(NC(=O)C4(C(=O)O)CC4)c(F)c3)ccn2)cn1.
What is the InChIKey of 1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ISUDVYMBQDWBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4/c1-25-11-12(10-23-25)17-9-14(4-7-22-17)29-13-2-3-16(15(21)8-13)24-18(26)20(5-6-20)19(27)28/h2-4,7-11H,5-6H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 396.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 59322773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).