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

C23H26ClF2N7O — CID 71074083

IUPAC1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride
SMILESCc1nc2ccc(F)cc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NCC(C)(C)O)n2n1.Cl
InChIInChI=1S/C23H25F2N7O.ClH/c1-13-22(28-17-8-14(24)4-5-16(17)27-13)18-9-21-29-20(31-7-6-15(25)11-31)10-19(32(21)30-18)26-12-23(2,3)33;/h4-5,8-10,15,26,33H,6-7,11-12H2,1-3H3;1H/t15-;/m1./s1
InChIKeyVBKIYRVUNXGISY-XFULWGLBSA-N
MW489.96 g/mol
LogP3.94
Rot. Bonds5

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

1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride (PubChem CID 71074083) has the molecular formula C23H26ClF2N7O and a molecular weight of 489.96 g/mol. Its IUPAC name is 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride
PubChem CID71074083
Molecular FormulaC23H26ClF2N7O
Molecular Weight489.96 g/mol
Exact Mass489.19
IUPAC Name1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride
SMILESCc1nc2ccc(F)cc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NCC(C)(C)O)n2n1.Cl
InChIInChI=1S/C23H25F2N7O.ClH/c1-13-22(28-17-8-14(24)4-5-16(17)27-13)18-9-21-29-20(31-7-6-15(25)11-31)10-19(32(21)30-18)26-12-23(2,3)33;/h4-5,8-10,15,26,33H,6-7,11-12H2,1-3H3;1H/t15-;/m1./s1
InChIKeyVBKIYRVUNXGISY-XFULWGLBSA-N
XLogP3.94
TPSA91.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[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-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[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-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride (CID 71074083) is 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[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-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[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-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride is Cc1nc2ccc(F)cc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NCC(C)(C)O)n2n1.Cl.
What is the InChIKey of 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride?
The InChIKey is VBKIYRVUNXGISY-XFULWGLBSA-N. The full InChI is InChI=1S/C23H25F2N7O.ClH/c1-13-22(28-17-8-14(24)4-5-16(17)27-13)18-9-21-29-20(31-7-6-15(25)11-31)10-19(32(21)30-18)26-12-23(2,3)33;/h4-5,8-10,15,26,33H,6-7,11-12H2,1-3H3;1H/t15-;/m1./s1.
What are the key properties of 1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride?
1-[[2-(7-fluoro-3-methylquinoxalin-2-yl)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride has a molecular weight of 489.96 g/mol, XLogP of 3.94, 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-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 71074083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).