1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol

C17H17FN6O — CID 128975572

IUPAC1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol
SMILESNc1nc(N2CC(O)CC2c2ccc(F)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C17H17FN6O/c18-12-4-2-11(3-5-12)14-8-13(25)10-23(14)15-9-16(22-17(19)21-15)24-7-1-6-20-24/h1-7,9,13-14,25H,8,10H2,(H2,19,21,22)
InChIKeyFGKHRZRWMLQOFR-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.70
Rot. Bonds3

About 1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol

1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol (PubChem CID 128975572) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol
PubChem CID128975572
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol
SMILESNc1nc(N2CC(O)CC2c2ccc(F)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C17H17FN6O/c18-12-4-2-11(3-5-12)14-8-13(25)10-23(14)15-9-16(22-17(19)21-15)24-7-1-6-20-24/h1-7,9,13-14,25H,8,10H2,(H2,19,21,22)
InChIKeyFGKHRZRWMLQOFR-UHFFFAOYSA-N
XLogP1.70
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 128963692
(3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol
CID 98853341
5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 128975590
(3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129350803
(3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
CID 100661594
(3R,5R)-1-(6-ethoxypyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 100614986
4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133435270
(3R,5S)-5-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 129447051
4-methyl-6-pyrazol-1-ylpyrimidin-2-amine
CID 14157472
(3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129350743
(3S,5R)-1-(5-chloro-2-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480765
4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine
CID 97158763

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol (CID 128975572) is 1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol is Nc1nc(N2CC(O)CC2c2ccc(F)cc2)cc(-n2cccn2)n1.
What is the InChIKey of 1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol?
The InChIKey is FGKHRZRWMLQOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c18-12-4-2-11(3-5-12)14-8-13(25)10-23(14)15-9-16(22-17(19)21-15)24-7-1-6-20-24/h1-7,9,13-14,25H,8,10H2,(H2,19,21,22).
What are the key properties of 1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol?
1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol has a molecular weight of 340.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 128975572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).