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

C19H19F5N6 — CID 11959514

IUPACN-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(C(F)(F)CN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C19H19F5N6/c20-18(21,12-1-3-13(4-2-12)19(22,23)24)10-30-7-5-14(6-8-30)28-16-15-9-27-29-17(15)26-11-25-16/h1-4,9,11,14H,5-8,10H2,(H2,25,26,27,28,29)
InChIKeyGXJBVCKDEHELEL-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.04
Rot. Bonds5

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

N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11959514) has the molecular formula C19H19F5N6 and a molecular weight of 426.39 g/mol. Its IUPAC name is N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11959514
Molecular FormulaC19H19F5N6
Molecular Weight426.39 g/mol
Exact Mass426.16
IUPAC NameN-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(C(F)(F)CN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C19H19F5N6/c20-18(21,12-1-3-13(4-2-12)19(22,23)24)10-30-7-5-14(6-8-30)28-16-15-9-27-29-17(15)26-11-25-16/h1-4,9,11,14H,5-8,10H2,(H2,25,26,27,28,29)
InChIKeyGXJBVCKDEHELEL-UHFFFAOYSA-N
XLogP4.04
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11959514) is N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is FC(F)(F)c1ccc(C(F)(F)CN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.
What is the InChIKey of N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is GXJBVCKDEHELEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N6/c20-18(21,12-1-3-13(4-2-12)19(22,23)24)10-30-7-5-14(6-8-30)28-16-15-9-27-29-17(15)26-11-25-16/h1-4,9,11,14H,5-8,10H2,(H2,25,26,27,28,29).
What are the key properties of N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 426.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11959514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).