2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol

C21H20N4OS — CID 90220836

IUPAC2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
SMILESCSc1n[nH]c2ccc(-c3cncc(NC(CO)c4ccccc4)c3)cc12
InChIInChI=1S/C21H20N4OS/c1-27-21-18-10-15(7-8-19(18)24-25-21)16-9-17(12-22-11-16)23-20(13-26)14-5-3-2-4-6-14/h2-12,20,23,26H,13H2,1H3,(H,24,25)
InChIKeyRPKQHVBCVVRYGS-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.49
Rot. Bonds6

About 2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol

2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol (PubChem CID 90220836) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
PubChem CID90220836
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
SMILESCSc1n[nH]c2ccc(-c3cncc(NC(CO)c4ccccc4)c3)cc12
InChIInChI=1S/C21H20N4OS/c1-27-21-18-10-15(7-8-19(18)24-25-21)16-9-17(12-22-11-16)23-20(13-26)14-5-3-2-4-6-14/h2-12,20,23,26H,13H2,1H3,(H,24,25)
InChIKeyRPKQHVBCVVRYGS-UHFFFAOYSA-N
XLogP4.49
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123610587
2-[[5-(1,3-benzodioxol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 90220993
2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123984384
5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 118378577
2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol
CID 90220920
2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol
CID 123630878
N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide
CID 90221196
2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 141465418
3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol
CID 137308959
2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol
CID 11163875
N-propan-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137114213
5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137134069

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
The IUPAC name of 2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol (CID 90220836) is 2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol is CSc1n[nH]c2ccc(-c3cncc(NC(CO)c4ccccc4)c3)cc12.
What is the InChIKey of 2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
The InChIKey is RPKQHVBCVVRYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-27-21-18-10-15(7-8-19(18)24-25-21)16-9-17(12-22-11-16)23-20(13-26)14-5-3-2-4-6-14/h2-12,20,23,26H,13H2,1H3,(H,24,25).
What are the key properties of 2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol has a molecular weight of 376.49 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol is sourced from PubChem (CID 90220836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).