2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid

C19H13FN2O3 — CID 141023875

IUPAC2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1-c1nn(Cc2ccccc2)c2cc(F)ccc12
InChIInChI=1S/C19H13FN2O3/c20-13-6-7-14-16(10-13)22(11-12-4-2-1-3-5-12)21-17(14)18-15(19(23)24)8-9-25-18/h1-10H,11H2,(H,23,24)
InChIKeyMDRPJYCSBXZNQO-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.18
Rot. Bonds4

About 2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid

2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid (PubChem CID 141023875) has the molecular formula C19H13FN2O3 and a molecular weight of 336.32 g/mol. Its IUPAC name is 2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid
PubChem CID141023875
Molecular FormulaC19H13FN2O3
Molecular Weight336.32 g/mol
Exact Mass336.09
IUPAC Name2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1-c1nn(Cc2ccccc2)c2cc(F)ccc12
InChIInChI=1S/C19H13FN2O3/c20-13-6-7-14-16(10-13)22(11-12-4-2-1-3-5-12)21-17(14)18-15(19(23)24)8-9-25-18/h1-10H,11H2,(H,23,24)
InChIKeyMDRPJYCSBXZNQO-UHFFFAOYSA-N
XLogP4.18
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid
CID 141023866
1-benzyl-6-fluoroindole-3-carboxylic acid
CID 23073198
[2-(1-benzylindazol-3-yl)furan-3-yl]methanamine
CID 22465028
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid
CID 63106124
2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidine-4,6-diamine
CID 175078410
1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
CID 66888571
1-benzyl-5-fluoropyrazole-4-carboxylic acid
CID 115031839
2-(3-benzylsulfonyl-6-fluoroindazol-1-yl)acetic acid
CID 70170629
5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide
CID 11349031
1-benzyl-6-fluoroindazole
CID 83414179
methyl N-[4,6-diamino-2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate
CID 153407847

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid?
The IUPAC name of 2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid (CID 141023875) is 2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid?
The canonical SMILES for 2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid is O=C(O)c1ccoc1-c1nn(Cc2ccccc2)c2cc(F)ccc12.
What is the InChIKey of 2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid?
The InChIKey is MDRPJYCSBXZNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3/c20-13-6-7-14-16(10-13)22(11-12-4-2-1-3-5-12)21-17(14)18-15(19(23)24)8-9-25-18/h1-10H,11H2,(H,23,24).
What are the key properties of 2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid?
2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid has a molecular weight of 336.32 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid is sourced from PubChem (CID 141023875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).