N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine

C18H26N8 — CID 128981570

IUPACN,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)c1ncnc2c1cnn2C
InChIInChI=1S/C18H26N8/c1-23-7-5-6-13(16(23)15-9-19-12-25(15)3)10-24(2)17-14-8-22-26(4)18(14)21-11-20-17/h8-9,11-13,16H,5-7,10H2,1-4H3/t13-,16+/m0/s1
InChIKeySEUFBYIIKUIYSL-XJKSGUPXSA-N
MW354.46 g/mol
LogP1.62
Rot. Bonds4

About N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine

N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 128981570) has the molecular formula C18H26N8 and a molecular weight of 354.46 g/mol. Its IUPAC name is N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID128981570
Molecular FormulaC18H26N8
Molecular Weight354.46 g/mol
Exact Mass354.23
IUPAC NameN,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)c1ncnc2c1cnn2C
InChIInChI=1S/C18H26N8/c1-23-7-5-6-13(16(23)15-9-19-12-25(15)3)10-24(2)17-14-8-22-26(4)18(14)21-11-20-17/h8-9,11-13,16H,5-7,10H2,1-4H3/t13-,16+/m0/s1
InChIKeySEUFBYIIKUIYSL-XJKSGUPXSA-N
XLogP1.62
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 154741257
N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride
CID 154582399
2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide
CID 128989666
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine
CID 128983687
4-[methyl-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 154769445
N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 80680258
2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide
CID 128977886
N-cycloheptyl-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 47159325
6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine
CID 129006983
(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95136191
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine
CID 128987589
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 167919498

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 128981570) is N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine is CN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)c1ncnc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is SEUFBYIIKUIYSL-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H26N8/c1-23-7-5-6-13(16(23)15-9-19-12-25(15)3)10-24(2)17-14-8-22-26(4)18(14)21-11-20-17/h8-9,11-13,16H,5-7,10H2,1-4H3/t13-,16+/m0/s1.
What are the key properties of N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 128981570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).