1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride

C23H27ClFN7O — CID 155523796

IUPAC1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride
SMILESCc1nc2ccc(F)cc2nc1-c1cc2nc(N3CCCC3)cc(NCC(C)(C)O)n2n1.Cl
InChIInChI=1S/C23H26FN7O.ClH/c1-14-22(27-17-10-15(24)6-7-16(17)26-14)18-11-21-28-20(30-8-4-5-9-30)12-19(31(21)29-18)25-13-23(2,3)32;/h6-7,10-12,25,32H,4-5,8-9,13H2,1-3H3;1H
InChIKeyGLXFTDGTWKDSQO-UHFFFAOYSA-N
MW471.97 g/mol
LogP3.99
Rot. Bonds5

About 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride

1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride (PubChem CID 155523796) has the molecular formula C23H27ClFN7O and a molecular weight of 471.97 g/mol. Its IUPAC name is 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride
PubChem CID155523796
Molecular FormulaC23H27ClFN7O
Molecular Weight471.97 g/mol
Exact Mass471.19
IUPAC Name1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride
SMILESCc1nc2ccc(F)cc2nc1-c1cc2nc(N3CCCC3)cc(NCC(C)(C)O)n2n1.Cl
InChIInChI=1S/C23H26FN7O.ClH/c1-14-22(27-17-10-15(24)6-7-16(17)26-14)18-11-21-28-20(30-8-4-5-9-30)12-19(31(21)29-18)25-13-23(2,3)32;/h6-7,10-12,25,32H,4-5,8-9,13H2,1-3H3;1H
InChIKeyGLXFTDGTWKDSQO-UHFFFAOYSA-N
XLogP3.99
TPSA91.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride?
The IUPAC name of 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride (CID 155523796) is 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride is Cc1nc2ccc(F)cc2nc1-c1cc2nc(N3CCCC3)cc(NCC(C)(C)O)n2n1.Cl.
What is the InChIKey of 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride?
The InChIKey is GLXFTDGTWKDSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O.ClH/c1-14-22(27-17-10-15(24)6-7-16(17)26-14)18-11-21-28-20(30-8-4-5-9-30)12-19(31(21)29-18)25-13-23(2,3)32;/h6-7,10-12,25,32H,4-5,8-9,13H2,1-3H3;1H.
What are the key properties of 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride?
1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride has a molecular weight of 471.97 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 155523796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).