2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride

C25H30ClN7O — CID 155544874

IUPAC2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
SMILESCc1nc2c(C)cccc2nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1.Cl
InChIInChI=1S/C25H29N7O.ClH/c1-16-6-5-7-19-24(16)26-17(2)25(28-19)20-14-22-29-21(31-10-3-4-11-31)15-23(32(22)30-20)27-18-8-12-33-13-9-18;/h5-7,14-15,18,27H,3-4,8-13H2,1-2H3;1H
InChIKeyRTVQTJRJDMFOSV-UHFFFAOYSA-N
MW480.02 g/mol
LogP4.57
Rot. Bonds4

About 2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride

2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride (PubChem CID 155544874) has the molecular formula C25H30ClN7O and a molecular weight of 480.02 g/mol. Its IUPAC name is 2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
PubChem CID155544874
Molecular FormulaC25H30ClN7O
Molecular Weight480.02 g/mol
Exact Mass479.22
IUPAC Name2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
SMILESCc1nc2c(C)cccc2nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1.Cl
InChIInChI=1S/C25H29N7O.ClH/c1-16-6-5-7-19-24(16)26-17(2)25(28-19)20-14-22-29-21(31-10-3-4-11-31)15-23(32(22)30-20)27-18-8-12-33-13-9-18;/h5-7,14-15,18,27H,3-4,8-13H2,1-2H3;1H
InChIKeyRTVQTJRJDMFOSV-UHFFFAOYSA-N
XLogP4.57
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.02
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The IUPAC name of 2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride (CID 155544874) is 2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The canonical SMILES for 2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride is Cc1nc2c(C)cccc2nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1.Cl.
What is the InChIKey of 2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The InChIKey is RTVQTJRJDMFOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O.ClH/c1-16-6-5-7-19-24(16)26-17(2)25(28-19)20-14-22-29-21(31-10-3-4-11-31)15-23(32(22)30-20)27-18-8-12-33-13-9-18;/h5-7,14-15,18,27H,3-4,8-13H2,1-2H3;1H.
What are the key properties of 2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride has a molecular weight of 480.02 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride is sourced from PubChem (CID 155544874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).