N-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C19H21F2N5O — CID 11337770

IUPACN-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(COC1CCC(Nc2ncnc3[nH]ncc23)CC1F)c1ccccc1
InChIInChI=1S/C19H21F2N5O/c20-15-8-13(25-18-14-9-24-26-19(14)23-11-22-18)6-7-17(15)27-10-16(21)12-4-2-1-3-5-12/h1-5,9,11,13,15-17H,6-8,10H2,(H2,22,23,24,25,26)
InChIKeyKSILTRWQVPIFKS-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.75
Rot. Bonds6

About N-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11337770) has the molecular formula C19H21F2N5O and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11337770
Molecular FormulaC19H21F2N5O
Molecular Weight373.41 g/mol
Exact Mass373.17
IUPAC NameN-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(COC1CCC(Nc2ncnc3[nH]ncc23)CC1F)c1ccccc1
InChIInChI=1S/C19H21F2N5O/c20-15-8-13(25-18-14-9-24-26-19(14)23-11-22-18)6-7-17(15)27-10-16(21)12-4-2-1-3-5-12/h1-5,9,11,13,15-17H,6-8,10H2,(H2,22,23,24,25,26)
InChIKeyKSILTRWQVPIFKS-UHFFFAOYSA-N
XLogP3.75
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11337770) is N-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is FC(COC1CCC(Nc2ncnc3[nH]ncc23)CC1F)c1ccccc1.
What is the InChIKey of N-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KSILTRWQVPIFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O/c20-15-8-13(25-18-14-9-24-26-19(14)23-11-22-18)6-7-17(15)27-10-16(21)12-4-2-1-3-5-12/h1-5,9,11,13,15-17H,6-8,10H2,(H2,22,23,24,25,26).
What are the key properties of N-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 373.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-fluoro-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11337770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).