N-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C24H24F3N7O — CID 67407204

IUPACN-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1
InChIInChI=1S/C24H24F3N7O/c25-24(26,27)23-22(29-16-5-1-2-6-17(16)30-23)18-13-20-31-19(33-9-3-4-10-33)14-21(34(20)32-18)28-15-7-11-35-12-8-15/h1-2,5-6,13-15,28H,3-4,7-12H2
InChIKeyNPBCLMXZGSMBHP-UHFFFAOYSA-N
MW483.50 g/mol
LogP4.55
Rot. Bonds4

About N-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

N-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 67407204) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is N-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID67407204
Molecular FormulaC24H24F3N7O
Molecular Weight483.50 g/mol
Exact Mass483.20
IUPAC NameN-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1
InChIInChI=1S/C24H24F3N7O/c25-24(26,27)23-22(29-16-5-1-2-6-17(16)30-23)18-13-20-31-19(33-9-3-4-10-33)14-21(34(20)32-18)28-15-7-11-35-12-8-15/h1-2,5-6,13-15,28H,3-4,7-12H2
InChIKeyNPBCLMXZGSMBHP-UHFFFAOYSA-N
XLogP4.55
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 67407204) is N-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)c1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1.
What is the InChIKey of N-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NPBCLMXZGSMBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O/c25-24(26,27)23-22(29-16-5-1-2-6-17(16)30-23)18-13-20-31-19(33-9-3-4-10-33)14-21(34(20)32-18)28-15-7-11-35-12-8-15/h1-2,5-6,13-15,28H,3-4,7-12H2.
What are the key properties of N-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
N-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 483.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-5-pyrrolidin-1-yl-2-[3-(trifluoromethyl)quinoxalin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 67407204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).