2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol

C24H23FN6O — CID 135363372

IUPAC2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C24H23FN6O/c1-24(2,32)19-14-29-31-22(10-21(30-23(19)31)16-9-17(25)13-26-11-16)27-8-7-15-12-28-20-6-4-3-5-18(15)20/h3-6,9-14,27-28,32H,7-8H2,1-2H3
InChIKeyBGTAQPJNUKSPMW-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.29
Rot. Bonds6

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

2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol (PubChem CID 135363372) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol
PubChem CID135363372
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C24H23FN6O/c1-24(2,32)19-14-29-31-22(10-21(30-23(19)31)16-9-17(25)13-26-11-16)27-8-7-15-12-28-20-6-4-3-5-18(15)20/h3-6,9-14,27-28,32H,7-8H2,1-2H3
InChIKeyBGTAQPJNUKSPMW-UHFFFAOYSA-N
XLogP4.29
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol?
The IUPAC name of 2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol (CID 135363372) is 2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol is CC(C)(O)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of 2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol?
The InChIKey is BGTAQPJNUKSPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-24(2,32)19-14-29-31-22(10-21(30-23(19)31)16-9-17(25)13-26-11-16)27-8-7-15-12-28-20-6-4-3-5-18(15)20/h3-6,9-14,27-28,32H,7-8H2,1-2H3.
What are the key properties of 2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol?
2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol has a molecular weight of 430.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol is sourced from PubChem (CID 135363372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).