1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea

C19H20N4O3 — CID 94828669

IUPAC1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea
SMILESCOCCn1ncc2ccc(NC(=O)N[C@H]3COc4ccccc43)cc21
InChIInChI=1S/C19H20N4O3/c1-25-9-8-23-17-10-14(7-6-13(17)11-20-23)21-19(24)22-16-12-26-18-5-3-2-4-15(16)18/h2-7,10-11,16H,8-9,12H2,1H3,(H2,21,22,24)/t16-/m0/s1
InChIKeyPLLXLKGODHKGBW-INIZCTEOSA-N
MW352.39 g/mol
LogP2.94
Rot. Bonds5

About 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea

1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea (PubChem CID 94828669) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea.

Molecular Properties

Compound Name1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea
PubChem CID94828669
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea
SMILESCOCCn1ncc2ccc(NC(=O)N[C@H]3COc4ccccc43)cc21
InChIInChI=1S/C19H20N4O3/c1-25-9-8-23-17-10-14(7-6-13(17)11-20-23)21-19(24)22-16-12-26-18-5-3-2-4-15(16)18/h2-7,10-11,16H,8-9,12H2,1H3,(H2,21,22,24)/t16-/m0/s1
InChIKeyPLLXLKGODHKGBW-INIZCTEOSA-N
XLogP2.94
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea?
The IUPAC name of 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea (CID 94828669) is 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea.
What is the SMILES notation for 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea?
The canonical SMILES for 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea is COCCn1ncc2ccc(NC(=O)N[C@H]3COc4ccccc43)cc21.
What is the InChIKey of 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea?
The InChIKey is PLLXLKGODHKGBW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-9-8-23-17-10-14(7-6-13(17)11-20-23)21-19(24)22-16-12-26-18-5-3-2-4-15(16)18/h2-7,10-11,16H,8-9,12H2,1H3,(H2,21,22,24)/t16-/m0/s1.
What are the key properties of 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea?
1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea has a molecular weight of 352.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[1-(2-methoxyethyl)indazol-6-yl]urea is sourced from PubChem (CID 94828669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).