5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol

C17H21N5O2S — CID 170787755

IUPAC5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol
SMILESCOc1cc(C)c(-n2cc3sc(NC4CCN(C)C4)nc3n2)c(O)c1
InChIInChI=1S/C17H21N5O2S/c1-10-6-12(24-3)7-13(23)15(10)22-9-14-16(20-22)19-17(25-14)18-11-4-5-21(2)8-11/h6-7,9,11,23H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyCTRHEIXSSAGZGL-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.62
Rot. Bonds4

About 5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol

5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol (PubChem CID 170787755) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol.

Molecular Properties

Compound Name5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol
PubChem CID170787755
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol
SMILESCOc1cc(C)c(-n2cc3sc(NC4CCN(C)C4)nc3n2)c(O)c1
InChIInChI=1S/C17H21N5O2S/c1-10-6-12(24-3)7-13(23)15(10)22-9-14-16(20-22)19-17(25-14)18-11-4-5-21(2)8-11/h6-7,9,11,23H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyCTRHEIXSSAGZGL-UHFFFAOYSA-N
XLogP2.62
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidine-1-carboxylate
CID 170787726
2-[5-[(1-cyclopropylsulfonylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol
CID 174306904
2-[5-[(1-cyclopropylsulfanylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol
CID 170787662
cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone
CID 170787739
1-[4-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]piperidin-1-yl]propan-1-one
CID 170787756
2-[5-[[(3S,4S)-4-fluorooxolan-3-yl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol
CID 170787742
2-[5-[[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]methylamino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol
CID 170787745
N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine
CID 167984914
4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 79146325
2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 176905785
2-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 176905820
7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 176905845

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol?
The IUPAC name of 5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol (CID 170787755) is 5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol.
What is the SMILES notation for 5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol?
The canonical SMILES for 5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol is COc1cc(C)c(-n2cc3sc(NC4CCN(C)C4)nc3n2)c(O)c1.
What is the InChIKey of 5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol?
The InChIKey is CTRHEIXSSAGZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-10-6-12(24-3)7-13(23)15(10)22-9-14-16(20-22)19-17(25-14)18-11-4-5-21(2)8-11/h6-7,9,11,23H,4-5,8H2,1-3H3,(H,18,19,20).
What are the key properties of 5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol?
5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol has a molecular weight of 359.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol is sourced from PubChem (CID 170787755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).