1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C15H14F3N5O2 — CID 133273633

IUPAC1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(CNc1ncnc2[nH]ncc12)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N5O2/c16-15(17,18)9-1-3-11(4-2-9)25-7-10(24)5-19-13-12-6-22-23-14(12)21-8-20-13/h1-4,6,8,10,24H,5,7H2,(H2,19,20,21,22,23)
InChIKeyPLAQIUKNKYFQCB-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.22
Rot. Bonds6

About 1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 133273633) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID133273633
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(CNc1ncnc2[nH]ncc12)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N5O2/c16-15(17,18)9-1-3-11(4-2-9)25-7-10(24)5-19-13-12-6-22-23-14(12)21-8-20-13/h1-4,6,8,10,24H,5,7H2,(H2,19,20,21,22,23)
InChIKeyPLAQIUKNKYFQCB-UHFFFAOYSA-N
XLogP2.22
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627006
1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 110010314
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 47982802
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
N-(2-fluoroethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 131102033
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
CID 119751777
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
2-fluoro-6-[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]amino]benzonitrile
CID 47485502
2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride
CID 120590377

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 133273633) is 1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is OC(CNc1ncnc2[nH]ncc12)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is PLAQIUKNKYFQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c16-15(17,18)9-1-3-11(4-2-9)25-7-10(24)5-19-13-12-6-22-23-14(12)21-8-20-13/h1-4,6,8,10,24H,5,7H2,(H2,19,20,21,22,23).
What are the key properties of 1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 353.30 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 133273633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).