2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

C24H27N5 — CID 11538251

IUPAC2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1cc2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c(C)n2n1
InChIInChI=1S/C24H27N5/c1-16-13-24-25-15-21(18(3)29(24)27-16)23-9-7-20-14-19(6-8-22(20)26-23)10-12-28-11-4-5-17(28)2/h6-9,13-15,17H,4-5,10-12H2,1-3H3/t17-/m1/s1
InChIKeyNJPWXCCVGLUPFM-QGZVFWFLSA-N
MW385.52 g/mol
LogP4.59
Rot. Bonds4

About 2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 11538251) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID11538251
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1cc2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c(C)n2n1
InChIInChI=1S/C24H27N5/c1-16-13-24-25-15-21(18(3)29(24)27-16)23-9-7-20-14-19(6-8-22(20)26-23)10-12-28-11-4-5-17(28)2/h6-9,13-15,17H,4-5,10-12H2,1-3H3/t17-/m1/s1
InChIKeyNJPWXCCVGLUPFM-QGZVFWFLSA-N
XLogP4.59
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 11538251) is 2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is Cc1cc2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c(C)n2n1.
What is the InChIKey of 2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is NJPWXCCVGLUPFM-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N5/c1-16-13-24-25-15-21(18(3)29(24)27-16)23-9-7-20-14-19(6-8-22(20)26-23)10-12-28-11-4-5-17(28)2/h6-9,13-15,17H,4-5,10-12H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 385.52 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 11538251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).