N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide

C20H14F2N4O — CID 72628295

IUPACN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F)c1ccc[nH]1
InChIInChI=1S/C20H14F2N4O/c21-13-6-3-12(4-7-13)5-8-16-14-10-19(15(22)11-18(14)26-25-16)24-20(27)17-2-1-9-23-17/h1-11,23H,(H,24,27)(H,25,26)
InChIKeyQEDHCSGOELMISG-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.59
Rot. Bonds4

About N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide

N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide (PubChem CID 72628295) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide
PubChem CID72628295
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC NameN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F)c1ccc[nH]1
InChIInChI=1S/C20H14F2N4O/c21-13-6-3-12(4-7-13)5-8-16-14-10-19(15(22)11-18(14)26-25-16)24-20(27)17-2-1-9-23-17/h1-11,23H,(H,24,27)(H,25,26)
InChIKeyQEDHCSGOELMISG-UHFFFAOYSA-N
XLogP4.59
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyridine-2-carboxamide
CID 72628181
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide
CID 59797007
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide
CID 76611277
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 69286407
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide
CID 158340656
(2S,4R)-1-acetyl-N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 91032461
1-N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-methylbutane-1,2-diamine
CID 68932693
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 72628024
N-(2-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210810
N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide
CID 160663485
N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 59797224
N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210699

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide (CID 72628295) is N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide is O=C(Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F)c1ccc[nH]1.
What is the InChIKey of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is QEDHCSGOELMISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O/c21-13-6-3-12(4-7-13)5-8-16-14-10-19(15(22)11-18(14)26-25-16)24-20(27)17-2-1-9-23-17/h1-11,23H,(H,24,27)(H,25,26).
What are the key properties of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide?
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 72628295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).