4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C20H25N7O2 — CID 72706536

IUPAC4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCn1ncc2c(N3CCOCC3)nc(OCc3cccc(N4CCCC4)n3)nc21
InChIInChI=1S/C20H25N7O2/c1-25-18-16(13-21-25)19(27-9-11-28-12-10-27)24-20(23-18)29-14-15-5-4-6-17(22-15)26-7-2-3-8-26/h4-6,13H,2-3,7-12,14H2,1H3
InChIKeyZQPOVFHTCVDDAI-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.77
Rot. Bonds5

About 4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 72706536) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID72706536
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCn1ncc2c(N3CCOCC3)nc(OCc3cccc(N4CCCC4)n3)nc21
InChIInChI=1S/C20H25N7O2/c1-25-18-16(13-21-25)19(27-9-11-28-12-10-27)24-20(23-18)29-14-15-5-4-6-17(22-15)26-7-2-3-8-26/h4-6,13H,2-3,7-12,14H2,1H3
InChIKeyZQPOVFHTCVDDAI-UHFFFAOYSA-N
XLogP1.77
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 72706536) is 4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is Cn1ncc2c(N3CCOCC3)nc(OCc3cccc(N4CCCC4)n3)nc21.
What is the InChIKey of 4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is ZQPOVFHTCVDDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-25-18-16(13-21-25)19(27-9-11-28-12-10-27)24-20(23-18)29-14-15-5-4-6-17(22-15)26-7-2-3-8-26/h4-6,13H,2-3,7-12,14H2,1H3.
What are the key properties of 4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 395.47 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-6-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 72706536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).