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

C21H15F2N3O2 — CID 72564568

IUPAC6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(C=Cc3cccc(F)c3)n[nH]c2cc1F
InChIInChI=1S/C21H15F2N3O2/c22-14-4-1-3-13(9-14)6-7-19-17-10-16(18(23)11-20(17)26-25-19)21(27)24-12-15-5-2-8-28-15/h1-11H,12H2,(H,24,27)(H,25,26)
InChIKeyCNOVVUCRGSKXAQ-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.53
Rot. Bonds5

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

6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 72564568) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID72564568
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(C=Cc3cccc(F)c3)n[nH]c2cc1F
InChIInChI=1S/C21H15F2N3O2/c22-14-4-1-3-13(9-14)6-7-19-17-10-16(18(23)11-20(17)26-25-19)21(27)24-12-15-5-2-8-28-15/h1-11H,12H2,(H,24,27)(H,25,26)
InChIKeyCNOVVUCRGSKXAQ-UHFFFAOYSA-N
XLogP4.53
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 59797387
4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 59797339
3-[(E)-2-(2-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 59796995
N-(furan-2-ylmethyl)-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
CID 90905062
3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628204
N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-indazole-5-carboxamide
CID 59796966
3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628291
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
CID 51192536
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 72628024
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-(2-naphthalen-2-ylethenyl)-1H-indazole-5-carboxamide
CID 91106086
4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 69378466

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide (CID 72564568) is 6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide is O=C(NCc1ccco1)c1cc2c(C=Cc3cccc(F)c3)n[nH]c2cc1F.
What is the InChIKey of 6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is CNOVVUCRGSKXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c22-14-4-1-3-13(9-14)6-7-19-17-10-16(18(23)11-20(17)26-25-19)21(27)24-12-15-5-2-8-28-15/h1-11H,12H2,(H,24,27)(H,25,26).
What are the key properties of 6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72564568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).