N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C20H24F2N6 — CID 134215405

IUPACN-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(CCN2CCC(N(C)c3ncnc4[nH]ncc34)C(F)(F)C2)cc1
InChIInChI=1S/C20H24F2N6/c1-14-3-5-15(6-4-14)7-9-28-10-8-17(20(21,22)12-28)27(2)19-16-11-25-26-18(16)23-13-24-19/h3-6,11,13,17H,7-10,12H2,1-2H3,(H,23,24,25,26)
InChIKeyGHHGSDFAMRXAMV-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.05
Rot. Bonds5

About N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 134215405) has the molecular formula C20H24F2N6 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID134215405
Molecular FormulaC20H24F2N6
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(CCN2CCC(N(C)c3ncnc4[nH]ncc34)C(F)(F)C2)cc1
InChIInChI=1S/C20H24F2N6/c1-14-3-5-15(6-4-14)7-9-28-10-8-17(20(21,22)12-28)27(2)19-16-11-25-26-18(16)23-13-24-19/h3-6,11,13,17H,7-10,12H2,1-2H3,(H,23,24,25,26)
InChIKeyGHHGSDFAMRXAMV-UHFFFAOYSA-N
XLogP3.05
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,3-difluoro-1-[2-[4-(fluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 122445184
N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134215403
N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 134215408
3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 120776449
N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11959650
N-(3-fluorocyclopentyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-(4-methylphenyl)ethanol
CID 143007954
N-[3,3-difluoro-1-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-4-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
CID 122445200
N-methyl-N-[(1S,3S)-3-[2-(2-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 70336330
N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 90819143
N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11667549
4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178104944
[3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine
CID 120773709

Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 134215405) is N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(CCN2CCC(N(C)c3ncnc4[nH]ncc34)C(F)(F)C2)cc1.
What is the InChIKey of N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is GHHGSDFAMRXAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N6/c1-14-3-5-15(6-4-14)7-9-28-10-8-17(20(21,22)12-28)27(2)19-16-11-25-26-18(16)23-13-24-19/h3-6,11,13,17H,7-10,12H2,1-2H3,(H,23,24,25,26).
What are the key properties of N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 386.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 134215405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).