N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide

C18H16FN3O2 — CID 23589899

IUPACN-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide
SMILESCOc1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C18H16FN3O2/c1-24-17-14(20-18(23)10-5-6-10)8-7-13-15(17)16(22-21-13)11-3-2-4-12(19)9-11/h2-4,7-10H,5-6H2,1H3,(H,20,23)(H,21,22)
InChIKeyGAJPWIVEXWUSNB-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.73
Rot. Bonds4

About N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide

N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide (PubChem CID 23589899) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide
PubChem CID23589899
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide
SMILESCOc1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C18H16FN3O2/c1-24-17-14(20-18(23)10-5-6-10)8-7-13-15(17)16(22-21-13)11-3-2-4-12(19)9-11/h2-4,7-10H,5-6H2,1H3,(H,20,23)(H,21,22)
InChIKeyGAJPWIVEXWUSNB-UHFFFAOYSA-N
XLogP3.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide (CID 23589899) is N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide is COc1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cccc(F)c3)c12.
What is the InChIKey of N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide?
The InChIKey is GAJPWIVEXWUSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-17-14(20-18(23)10-5-6-10)8-7-13-15(17)16(22-21-13)11-3-2-4-12(19)9-11/h2-4,7-10H,5-6H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide?
N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 23589899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).