N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide

C19H19FN4O3 — CID 23589873

IUPACN-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCCNC(C)=O
InChIInChI=1S/C19H19FN4O3/c1-11(25)21-6-7-22-19(26)15-9-14-16(10-17(15)27-2)23-24-18(14)12-4-3-5-13(20)8-12/h3-5,8-10H,6-7H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyJVTSHHYZKITUJN-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.24
Rot. Bonds6

About N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide

N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide (PubChem CID 23589873) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide
PubChem CID23589873
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCCNC(C)=O
InChIInChI=1S/C19H19FN4O3/c1-11(25)21-6-7-22-19(26)15-9-14-16(10-17(15)27-2)23-24-18(14)12-4-3-5-13(20)8-12/h3-5,8-10H,6-7H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyJVTSHHYZKITUJN-UHFFFAOYSA-N
XLogP2.24
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide (CID 23589873) is N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide is COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide?
The InChIKey is JVTSHHYZKITUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-11(25)21-6-7-22-19(26)15-9-14-16(10-17(15)27-2)23-24-18(14)12-4-3-5-13(20)8-12/h3-5,8-10H,6-7H2,1-2H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide?
N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).