N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride

C26H34Cl2N8O3S — CID 138523062

IUPACN-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride
SMILESCC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4(C)C)nc2n1-c1cccc(N(C)S(C)(=O)=O)n1.Cl.Cl
InChIInChI=1S/C26H32N8O3S.2ClH/c1-16(2)33-24(35)19-15-27-25(29-18-10-11-20-17(14-18)12-13-28-26(20,3)4)31-23(19)34(33)22-9-7-8-21(30-22)32(5)38(6,36)37;;/h7-11,14-16,28H,12-13H2,1-6H3,(H,27,29,31);2*1H
InChIKeyHWWBLEZAPLSGGE-UHFFFAOYSA-N
MW609.58 g/mol
LogP3.92
Rot. Bonds6

About N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride

N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride (PubChem CID 138523062) has the molecular formula C26H34Cl2N8O3S and a molecular weight of 609.58 g/mol. Its IUPAC name is N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride
PubChem CID138523062
Molecular FormulaC26H34Cl2N8O3S
Molecular Weight609.58 g/mol
Exact Mass608.19
IUPAC NameN-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride
SMILESCC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4(C)C)nc2n1-c1cccc(N(C)S(C)(=O)=O)n1.Cl.Cl
InChIInChI=1S/C26H32N8O3S.2ClH/c1-16(2)33-24(35)19-15-27-25(29-18-10-11-20-17(14-18)12-13-28-26(20,3)4)31-23(19)34(33)22-9-7-8-21(30-22)32(5)38(6,36)37;;/h7-11,14-16,28H,12-13H2,1-6H3,(H,27,29,31);2*1H
InChIKeyHWWBLEZAPLSGGE-UHFFFAOYSA-N
XLogP3.92
TPSA127.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.58
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 1,1-dimethyl-6-[[1-[6-[methyl(methylsulfonyl)amino]-2-pyridinyl]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydroisoquinoline-2-carboxylate
CID 138523150
1-(1-cyclopropylpyrazol-3-yl)-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138523147
6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride
CID 175886201
3-[[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]oxy]cyclobutane-1-carbonitrile
CID 167017796
1-[4-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]pyrimidin-2-yl]cyclopropane-1-carbonitrile
CID 163261521
1-(6-tert-butyl-2-pyridinyl)-2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one
CID 138536507
2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
CID 155193376
tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[1-[6-[methyl(methylsulfonyl)amino]-2-pyridinyl]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;N-methyl-N-[6-(6-methylsulfanyl-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)-2-pyridinyl]methanesulfonamide;N-methyl-N-[6-[3-oxo-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]methanesulfonamide;dihydrochloride
CID 161390779
1-(6-cyclopropyl-2-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;dihydrochloride
CID 138522866
2-propan-2-yl-1-(6-propan-2-yloxy-2-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536273
2-cyclopropyl-1-[6-[methyl(propan-2-yl)amino]-2-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536828
1-[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537086

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride?
The IUPAC name of N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride (CID 138523062) is N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride.
What is the SMILES notation for N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride?
The canonical SMILES for N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride is CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4(C)C)nc2n1-c1cccc(N(C)S(C)(=O)=O)n1.Cl.Cl.
What is the InChIKey of N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride?
The InChIKey is HWWBLEZAPLSGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3S.2ClH/c1-16(2)33-24(35)19-15-27-25(29-18-10-11-20-17(14-18)12-13-28-26(20,3)4)31-23(19)34(33)22-9-7-8-21(30-22)32(5)38(6,36)37;;/h7-11,14-16,28H,12-13H2,1-6H3,(H,27,29,31);2*1H.
What are the key properties of N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride?
N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride has a molecular weight of 609.58 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]-N-methylmethanesulfonamide;dihydrochloride is sourced from PubChem (CID 138523062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).