N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C17H16ClN7 — CID 25344777

IUPACN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ccnc1[C@H](Nc1ncnc2c1cnn2C)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN7/c1-24-8-7-19-17(24)14(11-3-5-12(18)6-4-11)23-15-13-9-22-25(2)16(13)21-10-20-15/h3-10,14H,1-2H3,(H,20,21,23)/t14-/m1/s1
InChIKeyMHJGGHYWUFGPMB-CQSZACIVSA-N
MW353.82 g/mol
LogP2.95
Rot. Bonds4

About N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 25344777) has the molecular formula C17H16ClN7 and a molecular weight of 353.82 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID25344777
Molecular FormulaC17H16ClN7
Molecular Weight353.82 g/mol
Exact Mass353.12
IUPAC NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ccnc1[C@H](Nc1ncnc2c1cnn2C)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN7/c1-24-8-7-19-17(24)14(11-3-5-12(18)6-4-11)23-15-13-9-22-25(2)16(13)21-10-20-15/h3-10,14H,1-2H3,(H,20,21,23)/t14-/m1/s1
InChIKeyMHJGGHYWUFGPMB-CQSZACIVSA-N
XLogP2.95
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.82
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 26020095
(1R)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 38006236
(1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 38006229
N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine
CID 24541708
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17396876
1-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590091
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 94497913
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
CID 119273847
N-[1-benzofuran-2-yl(phenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 42889550
4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43762276

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 25344777) is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ccnc1[C@H](Nc1ncnc2c1cnn2C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MHJGGHYWUFGPMB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16ClN7/c1-24-8-7-19-17(24)14(11-3-5-12(18)6-4-11)23-15-13-9-22-25(2)16(13)21-10-20-15/h3-10,14H,1-2H3,(H,20,21,23)/t14-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 353.82 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 25344777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).