N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide

C22H21FN4O2S — CID 168945299

IUPACN-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide
SMILESCCS(=O)Nc1ccc(-c2cccc3[nH]nc(N)c23)cc1OCc1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2S/c1-2-30(28)27-18-11-8-15(17-4-3-5-19-21(17)22(24)26-25-19)12-20(18)29-13-14-6-9-16(23)10-7-14/h3-12,27H,2,13H2,1H3,(H3,24,25,26)
InChIKeyMYBKNPIQQAMXSQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.63
Rot. Bonds7

About N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide

N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide (PubChem CID 168945299) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide
PubChem CID168945299
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC NameN-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide
SMILESCCS(=O)Nc1ccc(-c2cccc3[nH]nc(N)c23)cc1OCc1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2S/c1-2-30(28)27-18-11-8-15(17-4-3-5-19-21(17)22(24)26-25-19)12-20(18)29-13-14-6-9-16(23)10-7-14/h3-12,27H,2,13H2,1H3,(H3,24,25,26)
InChIKeyMYBKNPIQQAMXSQ-UHFFFAOYSA-N
XLogP4.63
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanesulfinamide
CID 168945195
4-[(4-methylphenyl)methoxy]-1H-indazol-3-amine
CID 11708630
N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide
CID 168946023
methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate
CID 11219755
1-[4-(3-amino-1H-indazol-4-yl)-2-(trifluoromethoxy)phenyl]-1-[5-(aminomethyl)-2-fluorophenyl]urea
CID 174492200
2-benzofuran-1,3-dione;4-phenylmethoxy-1H-indazol-3-amine;2-(4-phenylmethoxy-1H-indazol-3-yl)isoindole-1,3-dione
CID 161183441
N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methoxybenzamide
CID 122196202
4-(1H-indol-5-yl)-1H-indazol-3-amine
CID 11288115
1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 11407313
methyl 5-(3-amino-1H-indazol-4-yl)-2-(cyclohexen-1-yl)benzoate
CID 166067434
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide (CID 168945299) is N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide is CCS(=O)Nc1ccc(-c2cccc3[nH]nc(N)c23)cc1OCc1ccc(F)cc1.
What is the InChIKey of N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide?
The InChIKey is MYBKNPIQQAMXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-2-30(28)27-18-11-8-15(17-4-3-5-19-21(17)22(24)26-25-19)12-20(18)29-13-14-6-9-16(23)10-7-14/h3-12,27H,2,13H2,1H3,(H3,24,25,26).
What are the key properties of N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide?
N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide has a molecular weight of 424.50 g/mol, XLogP of 4.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide is sourced from PubChem (CID 168945299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).