4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine

C23H22N6O — CID 141271401

IUPAC4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine
SMILESC1=CC(N2CCOCC2)=CN(c2cc(-c3ccc4cc[nH]c4c3)nc3ccnn23)C1
InChIInChI=1S/C23H22N6O/c1-2-19(27-10-12-30-13-11-27)16-28(9-1)23-15-21(26-22-6-8-25-29(22)23)18-4-3-17-5-7-24-20(17)14-18/h1-8,14-16,24H,9-13H2
InChIKeyLZNUANHZDSHINV-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.43
Rot. Bonds3

About 4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine

4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine (PubChem CID 141271401) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine.

Molecular Properties

Compound Name4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine
PubChem CID141271401
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine
SMILESC1=CC(N2CCOCC2)=CN(c2cc(-c3ccc4cc[nH]c4c3)nc3ccnn23)C1
InChIInChI=1S/C23H22N6O/c1-2-19(27-10-12-30-13-11-27)16-28(9-1)23-15-21(26-22-6-8-25-29(22)23)18-4-3-17-5-7-24-20(17)14-18/h1-8,14-16,24H,9-13H2
InChIKeyLZNUANHZDSHINV-UHFFFAOYSA-N
XLogP3.43
TPSA61.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine?
The IUPAC name of 4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine (CID 141271401) is 4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine.
What is the SMILES notation for 4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine?
The canonical SMILES for 4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine is C1=CC(N2CCOCC2)=CN(c2cc(-c3ccc4cc[nH]c4c3)nc3ccnn23)C1.
What is the InChIKey of 4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine?
The InChIKey is LZNUANHZDSHINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-2-19(27-10-12-30-13-11-27)16-28(9-1)23-15-21(26-22-6-8-25-29(22)23)18-4-3-17-5-7-24-20(17)14-18/h1-8,14-16,24H,9-13H2.
What are the key properties of 4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine?
4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine has a molecular weight of 398.47 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(1H-indol-6-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-2H-pyridin-5-yl]morpholine is sourced from PubChem (CID 141271401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).