2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol

C18H21BrN6O — CID 10319790

IUPAC2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1cc(Nc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C18H21BrN6O/c19-15-12-21-25-17(22-13-4-3-7-20-11-13)10-16(23-18(15)25)24-8-2-1-5-14(24)6-9-26/h3-4,7,10-12,14,22,26H,1-2,5-6,8-9H2
InChIKeyDXNBINCHZIDHDV-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.37
Rot. Bonds5

About 2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol

2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol (PubChem CID 10319790) has the molecular formula C18H21BrN6O and a molecular weight of 417.31 g/mol. Its IUPAC name is 2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
PubChem CID10319790
Molecular FormulaC18H21BrN6O
Molecular Weight417.31 g/mol
Exact Mass416.10
IUPAC Name2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1cc(Nc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C18H21BrN6O/c19-15-12-21-25-17(22-13-4-3-7-20-11-13)10-16(23-18(15)25)24-8-2-1-5-14(24)6-9-26/h3-4,7,10-12,14,22,26H,1-2,5-6,8-9H2
InChIKeyDXNBINCHZIDHDV-UHFFFAOYSA-N
XLogP3.37
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol with MolForge

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Related Compounds

Dinaciclib
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2-[1-[3-Ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
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US10336761, Example 273
CID 126484369
2-[(2S)-1-[6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-9-ethylpurin-2-yl]piperidin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol (CID 10319790) is 2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol is OCCC1CCCCN1c1cc(Nc2cccnc2)n2ncc(Br)c2n1.
What is the InChIKey of 2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol?
The InChIKey is DXNBINCHZIDHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN6O/c19-15-12-21-25-17(22-13-4-3-7-20-11-13)10-16(23-18(15)25)24-8-2-1-5-14(24)6-9-26/h3-4,7,10-12,14,22,26H,1-2,5-6,8-9H2.
What are the key properties of 2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol?
2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol has a molecular weight of 417.31 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol is sourced from PubChem (CID 10319790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).