[5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol

C23H20FN5O — CID 159614991

IUPAC[5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol
SMILESOCc1cnn2c(NCCC3=CCc4ccccc43)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C23H20FN5O/c24-19-9-17(11-25-13-19)21-10-22(29-23(28-21)18(14-30)12-27-29)26-8-7-16-6-5-15-3-1-2-4-20(15)16/h1-4,6,9-13,26,30H,5,7-8,14H2
InChIKeyMNEDZUQZAHMRHP-UHFFFAOYSA-N
MW401.45 g/mol
LogP3.86
Rot. Bonds6

About [5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol

[5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol (PubChem CID 159614991) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is [5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol.

Molecular Properties

Compound Name[5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol
PubChem CID159614991
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC Name[5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol
SMILESOCc1cnn2c(NCCC3=CCc4ccccc43)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C23H20FN5O/c24-19-9-17(11-25-13-19)21-10-22(29-23(28-21)18(14-30)12-27-29)26-8-7-16-6-5-15-3-1-2-4-20(15)16/h1-4,6,9-13,26,30H,5,7-8,14H2
InChIKeyMNEDZUQZAHMRHP-UHFFFAOYSA-N
XLogP3.86
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Samuraciclib
CID 91844733
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
3-((3-Bromo-5-o-tolylpyrazolo(1,5-a)pyrimidin-7-ylamino)methyl)pyridine 1-oxide
CID 11304412
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834

Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol?
The IUPAC name of [5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol (CID 159614991) is [5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol.
What is the SMILES notation for [5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol?
The canonical SMILES for [5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol is OCc1cnn2c(NCCC3=CCc4ccccc43)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of [5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol?
The InChIKey is MNEDZUQZAHMRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-19-9-17(11-25-13-19)21-10-22(29-23(28-21)18(14-30)12-27-29)26-8-7-16-6-5-15-3-1-2-4-20(15)16/h1-4,6,9-13,26,30H,5,7-8,14H2.
What are the key properties of [5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol?
[5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol has a molecular weight of 401.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-3-pyridinyl)-7-[2-(3H-inden-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methanol is sourced from PubChem (CID 159614991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).