2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline

C23H25N7 — CID 53374180

IUPAC2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(N3CCCC3)n2n1
InChIInChI=1S/C23H25N7/c1-16-23(25-18-9-3-2-8-17(18)24-16)19-14-21-26-20(28-10-4-5-11-28)15-22(30(21)27-19)29-12-6-7-13-29/h2-3,8-9,14-15H,4-7,10-13H2,1H3
InChIKeyHYNGQPREEKTTSZ-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.85
Rot. Bonds3

About 2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline

2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline (PubChem CID 53374180) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline.

Molecular Properties

Compound Name2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline
PubChem CID53374180
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(N3CCCC3)n2n1
InChIInChI=1S/C23H25N7/c1-16-23(25-18-9-3-2-8-17(18)24-16)19-14-21-26-20(28-10-4-5-11-28)15-22(30(21)27-19)29-12-6-7-13-29/h2-3,8-9,14-15H,4-7,10-13H2,1H3
InChIKeyHYNGQPREEKTTSZ-UHFFFAOYSA-N
XLogP3.85
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,8-Dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 90024886
2-methyl-3-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}quinoxaline
CID 72704532
US8969376, 1.003 (HCl)
CID 53374070
2-(3-methylquinoxalin-2-yl)-5-pyrrolidin-1-yl-N-(tetrahydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53374069
1-((2-(7-fluoro-3-methylquinoxalin-2-yl)-5-((3R)-3-fluoropyrrolidin-1-yl)pyrazolo(1,5-a)pyrimidin-7-yl)amino)-2-methylpropan-2-ol
CID 53374175
1-({2-(7-fluoro-3-methylquinoxalin-2-yl)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)-2-methylpropan-2-ol hydrochloride
CID 71074083
5-((3R)-3-Fluoropyrrolidin-1-yl)-N-(11C)methyl-2-(3-methylquinoxalin-2-yl)-N-tetrahydropyran-4-yl-pyrazolo(1,5-a)pyrimidin-7-amine
CID 118727099
N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 802045
4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
CID 3968241
Diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl-amine
CID 654516
N-butan-2-yl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 3583535
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone
CID 138857397

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline?
The IUPAC name of 2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline (CID 53374180) is 2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline.
What is the SMILES notation for 2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline?
The canonical SMILES for 2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline is Cc1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(N3CCCC3)n2n1.
What is the InChIKey of 2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline?
The InChIKey is HYNGQPREEKTTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7/c1-16-23(25-18-9-3-2-8-17(18)24-16)19-14-21-26-20(28-10-4-5-11-28)15-22(30(21)27-19)29-12-6-7-13-29/h2-3,8-9,14-15H,4-7,10-13H2,1H3.
What are the key properties of 2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline?
2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline has a molecular weight of 399.50 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dipyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline is sourced from PubChem (CID 53374180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).