N-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine

C20H24FN7O — CID 45497495

IUPACN-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine
SMILESFc1ccc(-n2ncc3c(N4CCCCC4)nc(NN4CCOCC4)nc32)cc1
InChIInChI=1S/C20H24FN7O/c21-15-4-6-16(7-5-15)28-19-17(14-22-28)18(26-8-2-1-3-9-26)23-20(24-19)25-27-10-12-29-13-11-27/h4-7,14H,1-3,8-13H2,(H,23,24,25)
InChIKeyUFMPIVHRKWIJPV-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.60
Rot. Bonds4

About N-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine

N-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine (PubChem CID 45497495) has the molecular formula C20H24FN7O and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine
PubChem CID45497495
Molecular FormulaC20H24FN7O
Molecular Weight397.46 g/mol
Exact Mass397.20
IUPAC NameN-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine
SMILESFc1ccc(-n2ncc3c(N4CCCCC4)nc(NN4CCOCC4)nc32)cc1
InChIInChI=1S/C20H24FN7O/c21-15-4-6-16(7-5-15)28-19-17(14-22-28)18(26-8-2-1-3-9-26)23-20(24-19)25-27-10-12-29-13-11-27/h4-7,14H,1-3,8-13H2,(H,23,24,25)
InChIKeyUFMPIVHRKWIJPV-UHFFFAOYSA-N
XLogP2.60
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 71687844
4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 8009259
6-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 1235469
4-(azepan-1-yl)-N-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-amine
CID 8550271
N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017174
N-(5-fluoro-2-methylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 8548577
1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile
CID 10426145
4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
CID 4556262
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17017143
4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42675789
1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 42671981
2-N-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 83027145

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine (CID 45497495) is N-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine is Fc1ccc(-n2ncc3c(N4CCCCC4)nc(NN4CCOCC4)nc32)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine?
The InChIKey is UFMPIVHRKWIJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O/c21-15-4-6-16(7-5-15)28-19-17(14-22-28)18(26-8-2-1-3-9-26)23-20(24-19)25-27-10-12-29-13-11-27/h4-7,14H,1-3,8-13H2,(H,23,24,25).
What are the key properties of N-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine?
N-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine has a molecular weight of 397.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholin-4-amine is sourced from PubChem (CID 45497495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).