3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide

C22H23FN4O2 — CID 72628015

IUPAC3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CCNCC2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12
InChIInChI=1S/C22H23FN4O2/c1-29-21-17(22(28)25-16-10-12-24-13-11-16)7-9-19-20(21)18(26-27-19)8-4-14-2-5-15(23)6-3-14/h2-9,16,24H,10-13H2,1H3,(H,25,28)(H,26,27)
InChIKeyZILDPEOWUSFNSF-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.36
Rot. Bonds5

About 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide

3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide (PubChem CID 72628015) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide
PubChem CID72628015
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CCNCC2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12
InChIInChI=1S/C22H23FN4O2/c1-29-21-17(22(28)25-16-10-12-24-13-11-16)7-9-19-20(21)18(26-27-19)8-4-14-2-5-15(23)6-3-14/h2-9,16,24H,10-13H2,1H3,(H,25,28)(H,26,27)
InChIKeyZILDPEOWUSFNSF-UHFFFAOYSA-N
XLogP3.36
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90916059
N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 68935587
3-[2-(4-fluorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628047
N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 68933586
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1H-pyrrol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91101370
3-[2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90963822
3-[2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628063
N-cyclopropyl-4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
CID 173122824
N-cyclopropyl-4-methoxy-3-(2-phenylethenyl)-2H-indazole-5-carboxamide
CID 136648690
3-[2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136651581
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(2-iminoethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 142836253
3-[2-(1-benzofuran-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 69284821

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide (CID 72628015) is 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide is COc1c(C(=O)NC2CCNCC2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is ZILDPEOWUSFNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-29-21-17(22(28)25-16-10-12-24-13-11-16)7-9-19-20(21)18(26-27-19)8-4-14-2-5-15(23)6-3-14/h2-9,16,24H,10-13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide?
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).