5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C22H22FN7O — CID 53374276

IUPAC5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NC3COC3)n2n1
InChIInChI=1S/C22H22FN7O/c1-13-22(26-17-5-3-2-4-16(17)24-13)18-8-20-27-19(29-7-6-14(23)10-29)9-21(30(20)28-18)25-15-11-31-12-15/h2-5,8-9,14-15,25H,6-7,10-12H2,1H3/t14-/m1/s1
InChIKeyAIAQWURPUZZGAZ-CQSZACIVSA-N
MW419.46 g/mol
LogP3.01
Rot. Bonds4

About 5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53374276) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is 5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53374276
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC Name5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NC3COC3)n2n1
InChIInChI=1S/C22H22FN7O/c1-13-22(26-17-5-3-2-4-16(17)24-13)18-8-20-27-19(29-7-6-14(23)10-29)9-21(30(20)28-18)25-15-11-31-12-15/h2-5,8-9,14-15,25H,6-7,10-12H2,1H3/t14-/m1/s1
InChIKeyAIAQWURPUZZGAZ-CQSZACIVSA-N
XLogP3.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 53374276) is 5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NC3COC3)n2n1.
What is the InChIKey of 5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AIAQWURPUZZGAZ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-13-22(26-17-5-3-2-4-16(17)24-13)18-8-20-27-19(29-7-6-14(23)10-29)9-21(30(20)28-18)25-15-11-31-12-15/h2-5,8-9,14-15,25H,6-7,10-12H2,1H3/t14-/m1/s1.
What are the key properties of 5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 419.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53374276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).