N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C19H20F4N6O — CID 122445181

IUPACN-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(F)Oc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
InChIInChI=1S/C19H20F4N6O/c20-18(21)30-13-3-1-12(2-4-13)5-7-29-8-6-15(19(22,23)10-29)27-16-14-9-26-28-17(14)25-11-24-16/h1-4,9,11,15,18H,5-8,10H2,(H2,24,25,26,27,28)
InChIKeyCYHSEDUURZAXIZ-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.32
Rot. Bonds7

About N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 122445181) has the molecular formula C19H20F4N6O and a molecular weight of 424.40 g/mol. Its IUPAC name is N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID122445181
Molecular FormulaC19H20F4N6O
Molecular Weight424.40 g/mol
Exact Mass424.16
IUPAC NameN-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(F)Oc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
InChIInChI=1S/C19H20F4N6O/c20-18(21)30-13-3-1-12(2-4-13)5-7-29-8-6-15(19(22,23)10-29)27-16-14-9-26-28-17(14)25-11-24-16/h1-4,9,11,15,18H,5-8,10H2,(H2,24,25,26,27,28)
InChIKeyCYHSEDUURZAXIZ-UHFFFAOYSA-N
XLogP3.32
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 122445181) is N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is FC(F)Oc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1.
What is the InChIKey of N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is CYHSEDUURZAXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N6O/c20-18(21)30-13-3-1-12(2-4-13)5-7-29-8-6-15(19(22,23)10-29)27-16-14-9-26-28-17(14)25-11-24-16/h1-4,9,11,15,18H,5-8,10H2,(H2,24,25,26,27,28).
What are the key properties of N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 424.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 122445181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).