1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea

C23H22FN3O4 — CID 138996886

IUPAC1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
SMILESCOc1ccc2c(c1)OCC(NC(=O)NCc1cccnc1Oc1cccc(F)c1)C2
InChIInChI=1S/C23H22FN3O4/c1-29-19-8-7-15-10-18(14-30-21(15)12-19)27-23(28)26-13-16-4-3-9-25-22(16)31-20-6-2-5-17(24)11-20/h2-9,11-12,18H,10,13-14H2,1H3,(H2,26,27,28)
InChIKeyAMRIIDBIUGYKQL-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.82
Rot. Bonds6

About 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea

1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea (PubChem CID 138996886) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea.

Molecular Properties

Compound Name1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
PubChem CID138996886
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
SMILESCOc1ccc2c(c1)OCC(NC(=O)NCc1cccnc1Oc1cccc(F)c1)C2
InChIInChI=1S/C23H22FN3O4/c1-29-19-8-7-15-10-18(14-30-21(15)12-19)27-23(28)26-13-16-4-3-9-25-22(16)31-20-6-2-5-17(24)11-20/h2-9,11-12,18H,10,13-14H2,1H3,(H2,26,27,28)
InChIKeyAMRIIDBIUGYKQL-UHFFFAOYSA-N
XLogP3.82
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea 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

ethyl 4-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]piperidine-1-carboxylate
CID 55741558
1-[(5-chloro-2-pyridinyl)methyl]-3-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 125136934
(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 52535677
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847828
1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580982
1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111183961
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111949655
1-cyclohexyl-3-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 110957065
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55862938
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 86944304
4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide
CID 120595328

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The IUPAC name of 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea (CID 138996886) is 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea.
What is the SMILES notation for 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The canonical SMILES for 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea is COc1ccc2c(c1)OCC(NC(=O)NCc1cccnc1Oc1cccc(F)c1)C2.
What is the InChIKey of 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The InChIKey is AMRIIDBIUGYKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4/c1-29-19-8-7-15-10-18(14-30-21(15)12-19)27-23(28)26-13-16-4-3-9-25-22(16)31-20-6-2-5-17(24)11-20/h2-9,11-12,18H,10,13-14H2,1H3,(H2,26,27,28).
What are the key properties of 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea has a molecular weight of 423.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea is sourced from PubChem (CID 138996886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).