1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea

C21H16FN3O4 — CID 58930957

IUPAC1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ccnc3oc(CO)cc23)cc1
InChIInChI=1S/C21H16FN3O4/c22-13-1-3-14(4-2-13)24-21(27)25-15-5-7-16(8-6-15)28-19-9-10-23-20-18(19)11-17(12-26)29-20/h1-11,26H,12H2,(H2,24,25,27)
InChIKeyIPAWNJYHKWYAQE-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.90
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea

1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea (PubChem CID 58930957) has the molecular formula C21H16FN3O4 and a molecular weight of 393.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea
PubChem CID58930957
Molecular FormulaC21H16FN3O4
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Name1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ccnc3oc(CO)cc23)cc1
InChIInChI=1S/C21H16FN3O4/c22-13-1-3-14(4-2-13)24-21(27)25-15-5-7-16(8-6-15)28-19-9-10-23-20-18(19)11-17(12-26)29-20/h1-11,26H,12H2,(H2,24,25,27)
InChIKeyIPAWNJYHKWYAQE-UHFFFAOYSA-N
XLogP4.90
TPSA96.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea with MolForge

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Related Compounds

sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate
CID 23711331
sodium 4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]-6-isocyanoquinolin-7-olate
CID 58931025
1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea
CID 58931501
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea
CID 22936728
1-N-[4-(7-bromoquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;ethane
CID 153329922
1-(2,3-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11270888
1-[4-[6-cyano-7-[2-(diethylamino)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea
CID 67204662
1-N-[4-[6-carbamoyl-7-(2-hydroxyethoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139350049
2-[[2-(cyclopropanecarbonylamino)-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]-3-pyridinyl]methylidene]butanoic acid
CID 67202418
sodium 1-[4-(6-cyano-7-hydroxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(4-fluorophenyl)urea
CID 135829377
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea (CID 58930957) is 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea is O=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ccnc3oc(CO)cc23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea?
The InChIKey is IPAWNJYHKWYAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O4/c22-13-1-3-14(4-2-13)24-21(27)25-15-5-7-16(8-6-15)28-19-9-10-23-20-18(19)11-17(12-26)29-20/h1-11,26H,12H2,(H2,24,25,27).
What are the key properties of 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea?
1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea has a molecular weight of 393.37 g/mol, XLogP of 4.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]urea is sourced from PubChem (CID 58930957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).