N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide

C18H18FN3O3 — CID 22260696

IUPACN-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc2c(-c3cccc(F)c3)n[nH]c2cc1OC
InChIInChI=1S/C18H18FN3O3/c1-24-7-6-17(23)20-15-9-13-14(10-16(15)25-2)21-22-18(13)11-4-3-5-12(19)8-11/h3-5,8-10H,6-7H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBWWHJRNJSTZAHS-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.35
Rot. Bonds6

About N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide

N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide (PubChem CID 22260696) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide
PubChem CID22260696
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc2c(-c3cccc(F)c3)n[nH]c2cc1OC
InChIInChI=1S/C18H18FN3O3/c1-24-7-6-17(23)20-15-9-13-14(10-16(15)25-2)21-22-18(13)11-4-3-5-12(19)8-11/h3-5,8-10H,6-7H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBWWHJRNJSTZAHS-UHFFFAOYSA-N
XLogP3.35
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide?
The IUPAC name of N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide (CID 22260696) is N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide is COCCC(=O)Nc1cc2c(-c3cccc(F)c3)n[nH]c2cc1OC.
What is the InChIKey of N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide?
The InChIKey is BWWHJRNJSTZAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-24-7-6-17(23)20-15-9-13-14(10-16(15)25-2)21-22-18(13)11-4-3-5-12(19)8-11/h3-5,8-10H,6-7H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide?
N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide has a molecular weight of 343.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide is sourced from PubChem (CID 22260696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).