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

C23H26FN7O — CID 53374368

IUPAC1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol
SMILESCc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NCC(C)(C)O)n2n1
InChIInChI=1S/C23H26FN7O/c1-14-22(27-17-7-5-4-6-16(17)26-14)18-10-21-28-20(30-9-8-15(24)12-30)11-19(31(21)29-18)25-13-23(2,3)32/h4-7,10-11,15,25,32H,8-9,12-13H2,1-3H3/t15-/m1/s1
InChIKeyJHCPAZKUUMSOAO-OAHLLOKOSA-N
MW435.51 g/mol
LogP3.38
Rot. Bonds5

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

1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol (PubChem CID 53374368) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol
PubChem CID53374368
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol
SMILESCc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NCC(C)(C)O)n2n1
InChIInChI=1S/C23H26FN7O/c1-14-22(27-17-7-5-4-6-16(17)26-14)18-10-21-28-20(30-9-8-15(24)12-30)11-19(31(21)29-18)25-13-23(2,3)32/h4-7,10-11,15,25,32H,8-9,12-13H2,1-3H3/t15-/m1/s1
InChIKeyJHCPAZKUUMSOAO-OAHLLOKOSA-N
XLogP3.38
TPSA91.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol (CID 53374368) is 1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol is Cc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NCC(C)(C)O)n2n1.
What is the InChIKey of 1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol?
The InChIKey is JHCPAZKUUMSOAO-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-14-22(27-17-7-5-4-6-16(17)26-14)18-10-21-28-20(30-9-8-15(24)12-30)11-19(31(21)29-18)25-13-23(2,3)32/h4-7,10-11,15,25,32H,8-9,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol?
1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol has a molecular weight of 435.51 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 53374368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).