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

C19H22F2N6O — CID 11959517

IUPACN-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(C(F)(F)CN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C19H22F2N6O/c1-28-15-4-2-13(3-5-15)19(20,21)11-27-8-6-14(7-9-27)25-17-16-10-24-26-18(16)23-12-22-17/h2-5,10,12,14H,6-9,11H2,1H3,(H2,22,23,24,25,26)
InChIKeyQGBRDQWOMIXFPP-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.03
Rot. Bonds6

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

N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11959517) has the molecular formula C19H22F2N6O and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11959517
Molecular FormulaC19H22F2N6O
Molecular Weight388.42 g/mol
Exact Mass388.18
IUPAC NameN-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(C(F)(F)CN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C19H22F2N6O/c1-28-15-4-2-13(3-5-15)19(20,21)11-27-8-6-14(7-9-27)25-17-16-10-24-26-18(16)23-12-22-17/h2-5,10,12,14H,6-9,11H2,1H3,(H2,22,23,24,25,26)
InChIKeyQGBRDQWOMIXFPP-UHFFFAOYSA-N
XLogP3.03
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11959517) is N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is COc1ccc(C(F)(F)CN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.
What is the InChIKey of N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QGBRDQWOMIXFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O/c1-28-15-4-2-13(3-5-15)19(20,21)11-27-8-6-14(7-9-27)25-17-16-10-24-26-18(16)23-12-22-17/h2-5,10,12,14H,6-9,11H2,1H3,(H2,22,23,24,25,26).
What are the key properties of N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 388.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11959517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).