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

C25H30ClN7O — CID 155518454

IUPAC2-(3,7-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
SMILESCc1ccc2nc(C)c(-c3cc4nc(N5CCCC5)cc(NC5CCOCC5)n4n3)nc2c1.Cl
InChIInChI=1S/C25H29N7O.ClH/c1-16-5-6-19-20(13-16)28-25(17(2)26-19)21-14-23-29-22(31-9-3-4-10-31)15-24(32(23)30-21)27-18-7-11-33-12-8-18;/h5-6,13-15,18,27H,3-4,7-12H2,1-2H3;1H
InChIKeyLHUIOICOURAYSB-UHFFFAOYSA-N
MW480.02 g/mol
LogP4.57
Rot. Bonds4

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

2-(3,7-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride (PubChem CID 155518454) has the molecular formula C25H30ClN7O and a molecular weight of 480.02 g/mol. Its IUPAC name is 2-(3,7-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride.

Molecular Properties

Compound Name2-(3,7-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
PubChem CID155518454
Molecular FormulaC25H30ClN7O
Molecular Weight480.02 g/mol
Exact Mass479.22
IUPAC Name2-(3,7-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
SMILESCc1ccc2nc(C)c(-c3cc4nc(N5CCCC5)cc(NC5CCOCC5)n4n3)nc2c1.Cl
InChIInChI=1S/C25H29N7O.ClH/c1-16-5-6-19-20(13-16)28-25(17(2)26-19)21-14-23-29-22(31-9-3-4-10-31)15-24(32(23)30-21)27-18-7-11-33-12-8-18;/h5-6,13-15,18,27H,3-4,7-12H2,1-2H3;1H
InChIKeyLHUIOICOURAYSB-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-(3,7-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The IUPAC name of 2-(3,7-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride (CID 155518454) is 2-(3,7-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-(3,7-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The canonical SMILES for 2-(3,7-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride is Cc1ccc2nc(C)c(-c3cc4nc(N5CCCC5)cc(NC5CCOCC5)n4n3)nc2c1.Cl.
What is the InChIKey of 2-(3,7-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The InChIKey is LHUIOICOURAYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O.ClH/c1-16-5-6-19-20(13-16)28-25(17(2)26-19)21-14-23-29-22(31-9-3-4-10-31)15-24(32(23)30-21)27-18-7-11-33-12-8-18;/h5-6,13-15,18,27H,3-4,7-12H2,1-2H3;1H.
What are the key properties of 2-(3,7-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
2-(3,7-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-(3,7-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride is sourced from PubChem (CID 155518454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).