2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol

C20H27BrN6O — CID 71058457

IUPAC2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol
SMILESCCCN(CCO)CCCc1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C20H27BrN6O/c1-2-8-26(10-11-28)9-4-6-17-12-19(23-14-16-5-3-7-22-13-16)27-20(25-17)18(21)15-24-27/h3,5,7,12-13,15,23,28H,2,4,6,8-11,14H2,1H3
InChIKeyIRMWKAPKQIOJAL-UHFFFAOYSA-N
MW447.38 g/mol
LogP3.14
Rot. Bonds11

About 2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol

2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol (PubChem CID 71058457) has the molecular formula C20H27BrN6O and a molecular weight of 447.38 g/mol. Its IUPAC name is 2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol
PubChem CID71058457
Molecular FormulaC20H27BrN6O
Molecular Weight447.38 g/mol
Exact Mass446.14
IUPAC Name2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol
SMILESCCCN(CCO)CCCc1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C20H27BrN6O/c1-2-8-26(10-11-28)9-4-6-17-12-19(23-14-16-5-3-7-22-13-16)27-20(25-17)18(21)15-24-27/h3,5,7,12-13,15,23,28H,2,4,6,8-11,14H2,1H3
InChIKeyIRMWKAPKQIOJAL-UHFFFAOYSA-N
XLogP3.14
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol
CID 157262286
2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol
CID 11292240
(2R)-2-amino-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
CID 70806600
3-bromo-5-tert-butylsulfanyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067175
3-bromo-5-(2-bromophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066638
3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine
CID 143440446
1-[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-1-ium-1-yl]ethanone
CID 58828967
(2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol
CID 71129442
3-bromo-5-N-cyclohexyl-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 21067210
3-bromo-5-N-[chloro(phenyl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 143441130
[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 11154670
2-[(1S)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]propan-2-ol
CID 58781382

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol?
The IUPAC name of 2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol (CID 71058457) is 2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol.
What is the SMILES notation for 2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol?
The canonical SMILES for 2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol is CCCN(CCO)CCCc1cc(NCc2cccnc2)n2ncc(Br)c2n1.
What is the InChIKey of 2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol?
The InChIKey is IRMWKAPKQIOJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN6O/c1-2-8-26(10-11-28)9-4-6-17-12-19(23-14-16-5-3-7-22-13-16)27-20(25-17)18(21)15-24-27/h3,5,7,12-13,15,23,28H,2,4,6,8-11,14H2,1H3.
What are the key properties of 2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol?
2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol has a molecular weight of 447.38 g/mol, XLogP of 3.14, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol is sourced from PubChem (CID 71058457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).