4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine

C24H24N6O — CID 155543644

IUPAC4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine
SMILESCc1ncc(-c2ccn3ncc(-c4ccc5c(c4)C(N4CCOCC4)CC5)c3n2)cn1
InChIInChI=1S/C24H24N6O/c1-16-25-13-19(14-26-16)22-6-7-30-24(28-22)21(15-27-30)18-3-2-17-4-5-23(20(17)12-18)29-8-10-31-11-9-29/h2-3,6-7,12-15,23H,4-5,8-11H2,1H3
InChIKeyQIUJLZOBIUQHMC-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.48
Rot. Bonds3

About 4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine

4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine (PubChem CID 155543644) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine.

Molecular Properties

Compound Name4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine
PubChem CID155543644
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine
SMILESCc1ncc(-c2ccn3ncc(-c4ccc5c(c4)C(N4CCOCC4)CC5)c3n2)cn1
InChIInChI=1S/C24H24N6O/c1-16-25-13-19(14-26-16)22-6-7-30-24(28-22)21(15-27-30)18-3-2-17-4-5-23(20(17)12-18)29-8-10-31-11-9-29/h2-3,6-7,12-15,23H,4-5,8-11H2,1H3
InChIKeyQIUJLZOBIUQHMC-UHFFFAOYSA-N
XLogP3.48
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine?
The IUPAC name of 4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine (CID 155543644) is 4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine.
What is the SMILES notation for 4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine?
The canonical SMILES for 4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine is Cc1ncc(-c2ccn3ncc(-c4ccc5c(c4)C(N4CCOCC4)CC5)c3n2)cn1.
What is the InChIKey of 4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine?
The InChIKey is QIUJLZOBIUQHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-16-25-13-19(14-26-16)22-6-7-30-24(28-22)21(15-27-30)18-3-2-17-4-5-23(20(17)12-18)29-8-10-31-11-9-29/h2-3,6-7,12-15,23H,4-5,8-11H2,1H3.
What are the key properties of 4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine?
4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine has a molecular weight of 412.50 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine is sourced from PubChem (CID 155543644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).