cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone

C20H23N5O2S — CID 170787739

IUPACcyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)c(-n2cc3sc(NC4CCN(C(=O)C5CC5)C4)nc3n2)c(O)c1
InChIInChI=1S/C20H23N5O2S/c1-11-7-12(2)17(15(26)8-11)25-10-16-18(23-25)22-20(28-16)21-14-5-6-24(9-14)19(27)13-3-4-13/h7-8,10,13-14,26H,3-6,9H2,1-2H3,(H,21,22,23)
InChIKeyIREMHARTMRVYHY-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.23
Rot. Bonds4

About cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone

cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone (PubChem CID 170787739) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone
PubChem CID170787739
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Namecyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)c(-n2cc3sc(NC4CCN(C(=O)C5CC5)C4)nc3n2)c(O)c1
InChIInChI=1S/C20H23N5O2S/c1-11-7-12(2)17(15(26)8-11)25-10-16-18(23-25)22-20(28-16)21-14-5-6-24(9-14)19(27)13-3-4-13/h7-8,10,13-14,26H,3-6,9H2,1-2H3,(H,21,22,23)
InChIKeyIREMHARTMRVYHY-UHFFFAOYSA-N
XLogP3.23
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
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-[(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
5-methoxy-3-methyl-2-[5-[(1-methylpyrrolidin-3-yl)amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]phenol
CID 170787755
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
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 47156722
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
4-(2,4,6-trimethylanilino)piperidine-1-carboxylate
CID 23109910
[3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrrolidin-1-yl]-[5-methyl-2-(trifluoromethyl)phenyl]methanone
CID 74834753

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone (CID 170787739) is cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone is Cc1cc(C)c(-n2cc3sc(NC4CCN(C(=O)C5CC5)C4)nc3n2)c(O)c1.
What is the InChIKey of cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone?
The InChIKey is IREMHARTMRVYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-11-7-12(2)17(15(26)8-11)25-10-16-18(23-25)22-20(28-16)21-14-5-6-24(9-14)19(27)13-3-4-13/h7-8,10,13-14,26H,3-6,9H2,1-2H3,(H,21,22,23).
What are the key properties of cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone?
cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone has a molecular weight of 397.50 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 170787739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).