N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide

C24H24F2N4O — CID 158340656

IUPACN-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide
SMILESCC1CC1(C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)N1CCCC1
InChIInChI=1S/C24H24F2N4O/c1-15-14-24(15,30-10-2-3-11-30)23(31)27-22-12-18-20(28-29-21(18)13-19(22)26)9-6-16-4-7-17(25)8-5-16/h4-9,12-13,15H,2-3,10-11,14H2,1H3,(H,27,31)(H,28,29)/b9-6+
InChIKeyGRCVJOSTCGPORN-RMKNXTFCSA-N
MW422.48 g/mol
LogP4.82
Rot. Bonds5

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

N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide (PubChem CID 158340656) has the molecular formula C24H24F2N4O and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide
PubChem CID158340656
Molecular FormulaC24H24F2N4O
Molecular Weight422.48 g/mol
Exact Mass422.19
IUPAC NameN-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide
SMILESCC1CC1(C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)N1CCCC1
InChIInChI=1S/C24H24F2N4O/c1-15-14-24(15,30-10-2-3-11-30)23(31)27-22-12-18-20(28-29-21(18)13-19(22)26)9-6-16-4-7-17(25)8-5-16/h4-9,12-13,15H,2-3,10-11,14H2,1H3,(H,27,31)(H,28,29)/b9-6+
InChIKeyGRCVJOSTCGPORN-RMKNXTFCSA-N
XLogP4.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 69286407
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyridine-2-carboxamide
CID 72628181
(2S,4R)-1-acetyl-N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 91032461
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide
CID 72628295
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide
CID 59797007
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-[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]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 72628024
1-N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-methylbutane-1,2-diamine
CID 68932693
1-acetyl-N-[3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]piperidine-4-carboxamide
CID 22978012
N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 59797224
1-[3-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]ethanol
CID 59797140

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide (CID 158340656) is N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide is CC1CC1(C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)N1CCCC1.
What is the InChIKey of N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide?
The InChIKey is GRCVJOSTCGPORN-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H24F2N4O/c1-15-14-24(15,30-10-2-3-11-30)23(31)27-22-12-18-20(28-29-21(18)13-19(22)26)9-6-16-4-7-17(25)8-5-16/h4-9,12-13,15H,2-3,10-11,14H2,1H3,(H,27,31)(H,28,29)/b9-6+.
What are the key properties of N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide?
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 158340656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).