N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

C20H15FN4OS — CID 59797224

IUPACN-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F
InChIInChI=1S/C20H15FN4OS/c21-16-11-18-15(10-19(16)23-20(26)9-14-4-2-8-27-14)17(24-25-18)6-5-13-3-1-7-22-12-13/h1-8,10-12H,9H2,(H,23,26)(H,24,25)/b6-5+
InChIKeyQWMYEWGGFJVYTB-AATRIKPKSA-N
MW378.43 g/mol
LogP4.51
Rot. Bonds5

About N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 59797224) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
PubChem CID59797224
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F
InChIInChI=1S/C20H15FN4OS/c21-16-11-18-15(10-19(16)23-20(26)9-14-4-2-8-27-14)17(24-25-18)6-5-13-3-1-7-22-12-13/h1-8,10-12H,9H2,(H,23,26)(H,24,25)/b6-5+
InChIKeyQWMYEWGGFJVYTB-AATRIKPKSA-N
XLogP4.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 46886342
N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 89362770
6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine
CID 68933883
N-[3-[(E)-2-[3-(cyclopentylcarbamoylamino)phenyl]ethenyl]-6-methyl-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 89362735
2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 161400375
N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide
CID 59797033
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 69286407
N-[3-[(E)-2-[3-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamoylamino]phenyl]ethenyl]-6-methyl-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 89362685
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyridine-2-carboxamide
CID 72628181
3-[3-fluoro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enoic acid
CID 76907775
pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate
CID 143464033

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (CID 59797224) is N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F.
What is the InChIKey of N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is QWMYEWGGFJVYTB-AATRIKPKSA-N. The full InChI is InChI=1S/C20H15FN4OS/c21-16-11-18-15(10-19(16)23-20(26)9-14-4-2-8-27-14)17(24-25-18)6-5-13-3-1-7-22-12-13/h1-8,10-12H,9H2,(H,23,26)(H,24,25)/b6-5+.
What are the key properties of N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 378.43 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 59797224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).