3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide

C21H17FN4O3 — CID 72628233

IUPAC3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccc(F)nc3)c12
InChIInChI=1S/C21H17FN4O3/c1-28-20-15(21(27)24-12-14-3-2-10-29-14)6-8-17-19(20)16(25-26-17)7-4-13-5-9-18(22)23-11-13/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyIVDRURNZKUWLBJ-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.80
Rot. Bonds6

About 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide

3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 72628233) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
PubChem CID72628233
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccc(F)nc3)c12
InChIInChI=1S/C21H17FN4O3/c1-28-20-15(21(27)24-12-14-3-2-10-29-14)6-8-17-19(20)16(25-26-17)7-4-13-5-9-18(22)23-11-13/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyIVDRURNZKUWLBJ-UHFFFAOYSA-N
XLogP3.80
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide with MolForge

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Related Compounds

(2s)-1-{[6-Furan-3-Yl-5-(3-Methyl-2h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-(1h-Indol-3-Yl)propan-2-Amine
CID 46225540
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-indazol-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46190874
(S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 46190875
(S)-1-(6-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 46226075
(S)-1-(7-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 46226076
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11495551
(S)-1-(6-(furan-2-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11633229
N-[3-methoxy-4-(5-oxazolyl)phenyl]-1H-indazole-3-carboxamide
CID 44329815
4-(4-Isopropoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-1-isopropyl-N-(oxetan-3-yl)-1H-pyrrole-2-carboxaMide
CID 56941655
2-Indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
CID 70802787
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-amine
CID 46226078
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884800

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (CID 72628233) is 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccc(F)nc3)c12.
What is the InChIKey of 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is IVDRURNZKUWLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-28-20-15(21(27)24-12-14-3-2-10-29-14)6-8-17-19(20)16(25-26-17)7-4-13-5-9-18(22)23-11-13/h2-11H,12H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).