3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide

C22H17F2N5O2 — CID 90743686

IUPAC3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cnccn2)ccc2[nH]nc(C=Cc3ccc(F)cc3F)c12
InChIInChI=1S/C22H17F2N5O2/c1-31-21-16(22(30)27-12-15-11-25-8-9-26-15)5-7-19-20(21)18(28-29-19)6-3-13-2-4-14(23)10-17(13)24/h2-11H,12H2,1H3,(H,27,30)(H,28,29)
InChIKeyCFCLPOZYKNSWLF-UHFFFAOYSA-N
MW421.41 g/mol
LogP3.74
Rot. Bonds6

About 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide

3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 90743686) has the molecular formula C22H17F2N5O2 and a molecular weight of 421.41 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID90743686
Molecular FormulaC22H17F2N5O2
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC Name3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cnccn2)ccc2[nH]nc(C=Cc3ccc(F)cc3F)c12
InChIInChI=1S/C22H17F2N5O2/c1-31-21-16(22(30)27-12-15-11-25-8-9-26-15)5-7-19-20(21)18(28-29-19)6-3-13-2-4-14(23)10-17(13)24/h2-11H,12H2,1H3,(H,27,30)(H,28,29)
InChIKeyCFCLPOZYKNSWLF-UHFFFAOYSA-N
XLogP3.74
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide
CID 67108013
N-(cyclopropyl(pyridin-2-yl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711045
N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
3-[4-[[(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-N-(3-methyl-1-pyridin-2-ylbutyl)-1H-indazole-5-carboxamide
CID 118735386
N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 9910658
((2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl)(6-methoxy-1H-indol-5-yl)methanone
CID 10091017
(4-Benzyl-piperazin-1-yl)-(6-methoxy-1H-indol-5-yl)-methanone
CID 25124305
4-(aminomethyl)-N-[1-[4-(3-methoxy-1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 127031975
5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127037292
N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047159
N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047563

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide (CID 90743686) is 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2cnccn2)ccc2[nH]nc(C=Cc3ccc(F)cc3F)c12.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is CFCLPOZYKNSWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O2/c1-31-21-16(22(30)27-12-15-11-25-8-9-26-15)5-7-19-20(21)18(28-29-19)6-3-13-2-4-14(23)10-17(13)24/h2-11H,12H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 421.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 90743686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).