cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol

C19H22BrClN6O — CID 156513938

IUPACcis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol
SMILESCC(N)c1cc(Cl)cc(-n2nc(Br)c3cnc(N[C@@H]4CC[C@@](C)(O)C4)nc32)c1
InChIInChI=1S/C19H22BrClN6O/c1-10(22)11-5-12(21)7-14(6-11)27-17-15(16(20)26-27)9-23-18(25-17)24-13-3-4-19(2,28)8-13/h5-7,9-10,13,28H,3-4,8,22H2,1-2H3,(H,23,24,25)/t10?,13-,19-/m1/s1
InChIKeyCTZVOHUCNAXJRU-PLVDWWEDSA-N
MW465.78 g/mol
LogP3.97
Rot. Bonds4

About cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol

cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol (PubChem CID 156513938) has the molecular formula C19H22BrClN6O and a molecular weight of 465.78 g/mol. Its IUPAC name is cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol
PubChem CID156513938
Molecular FormulaC19H22BrClN6O
Molecular Weight465.78 g/mol
Exact Mass464.07
IUPAC Namecis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol
SMILESCC(N)c1cc(Cl)cc(-n2nc(Br)c3cnc(N[C@@H]4CC[C@@](C)(O)C4)nc32)c1
InChIInChI=1S/C19H22BrClN6O/c1-10(22)11-5-12(21)7-14(6-11)27-17-15(16(20)26-27)9-23-18(25-17)24-13-3-4-19(2,28)8-13/h5-7,9-10,13,28H,3-4,8,22H2,1-2H3,(H,23,24,25)/t10?,13-,19-/m1/s1
InChIKeyCTZVOHUCNAXJRU-PLVDWWEDSA-N
XLogP3.97
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.78
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol 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

(3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-N-methylcyclopentane-1-sulfonamide
CID 156513974
(4S)-4-[[1-[3-[(1S)-1-aminoethyl]-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]hexan-1-ol
CID 156542149
cis-(1R,3R)-3-[[3-bromo-1-[3-chloro-5-[2-(methanesulfonamido)ethyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N,1-dimethylcyclopentane-1-carboxamide
CID 151818998
cis-(1R,3R)-3-[[3-bromo-1-[8-(1-hydroxypropan-2-yl)quinolin-6-yl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N,1-dimethylcyclopentane-1-carboxamide
CID 151831018
cis-(1R,3R)-3-[[1-(2-acetamidoquinazolin-6-yl)-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-N,1-dimethylcyclopentane-1-carboxamide
CID 147368613
trans-(1S,3R)-3-[[1-[8-(2-aminoethyl)quinolin-6-yl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 151436847
cis-(1R,3R)-3-[(3-bromo-1-quinazolin-6-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-(2,2-difluoroethyl)-N-methylcyclopentane-1-carboxamide
CID 151528001
(3R)-3-[[3-bromo-1-(8-fluoroquinolin-6-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide
CID 151955813
cis-(1R,3R)-3-[[1-[3-(azetidin-3-yl)-5-cyanophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-N,1-dimethylcyclopentane-1-carboxamide
CID 151452435
cis-(1R,3R)-3-[[1-[2-(azetidin-1-yl)quinazolin-6-yl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-N,1-dimethylcyclopentane-1-carboxamide
CID 150065558
cis-(1R,3R)-3-[[1-[2-(azetidine-3-carbonyl)-1,3-dihydroisoindol-5-yl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-N,1-dimethylcyclopentane-1-carboxamide
CID 151059588
cis-(1R,3R)-3-[[3-bromo-1-[8-(2-methylsulfonylethyl)quinolin-6-yl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N,1-dimethylcyclopentane-1-carboxamide
CID 153291696

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol?
The IUPAC name of cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol (CID 156513938) is cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol?
The canonical SMILES for cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol is CC(N)c1cc(Cl)cc(-n2nc(Br)c3cnc(N[C@@H]4CC[C@@](C)(O)C4)nc32)c1.
What is the InChIKey of cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol?
The InChIKey is CTZVOHUCNAXJRU-PLVDWWEDSA-N. The full InChI is InChI=1S/C19H22BrClN6O/c1-10(22)11-5-12(21)7-14(6-11)27-17-15(16(20)26-27)9-23-18(25-17)24-13-3-4-19(2,28)8-13/h5-7,9-10,13,28H,3-4,8,22H2,1-2H3,(H,23,24,25)/t10?,13-,19-/m1/s1.
What are the key properties of cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol?
cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol has a molecular weight of 465.78 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-[[1-[3-(1-aminoethyl)-5-chlorophenyl]-3-bromopyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methylcyclopentan-1-ol is sourced from PubChem (CID 156513938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).