N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide

C21H17FN4O2 — CID 22260765

IUPACN-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1CNC(=O)c1cccnc1
InChIInChI=1S/C21H17FN4O2/c1-28-19-10-18-17(20(26-25-18)13-4-2-6-16(22)8-13)9-15(19)12-24-21(27)14-5-3-7-23-11-14/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeySUWCTXWPKRVSRW-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.70
Rot. Bonds5

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

N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 22260765) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide
PubChem CID22260765
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1CNC(=O)c1cccnc1
InChIInChI=1S/C21H17FN4O2/c1-28-19-10-18-17(20(26-25-18)13-4-2-6-16(22)8-13)9-15(19)12-24-21(27)14-5-3-7-23-11-14/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeySUWCTXWPKRVSRW-UHFFFAOYSA-N
XLogP3.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.70
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]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide (CID 22260765) is N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide is COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1CNC(=O)c1cccnc1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is SUWCTXWPKRVSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-28-19-10-18-17(20(26-25-18)13-4-2-6-16(22)8-13)9-15(19)12-24-21(27)14-5-3-7-23-11-14/h2-11H,12H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide?
N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.70, 5 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]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 22260765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).