N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide

C18H16FN3O2 — CID 23589968

IUPACN-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NC1CC1
InChIInChI=1S/C18H16FN3O2/c1-24-16-9-15-13(8-14(16)18(23)20-12-5-6-12)17(22-21-15)10-3-2-4-11(19)7-10/h2-4,7-9,12H,5-6H2,1H3,(H,20,23)(H,21,22)
InChIKeyWHEFWUGNYOOFBJ-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.27
Rot. Bonds4

About N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide

N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide (PubChem CID 23589968) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide
PubChem CID23589968
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NC1CC1
InChIInChI=1S/C18H16FN3O2/c1-24-16-9-15-13(8-14(16)18(23)20-12-5-6-12)17(22-21-15)10-3-2-4-11(19)7-10/h2-4,7-9,12H,5-6H2,1H3,(H,20,23)(H,21,22)
InChIKeyWHEFWUGNYOOFBJ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide (CID 23589968) is N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide is COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide?
The InChIKey is WHEFWUGNYOOFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-16-9-15-13(8-14(16)18(23)20-12-5-6-12)17(22-21-15)10-3-2-4-11(19)7-10/h2-4,7-9,12H,5-6H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide?
N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).