4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine

C21H25N5O3 — CID 54673405

IUPAC4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESCc1cc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c(OC2CCOCC2)n1
InChIInChI=1S/C21H25N5O3/c1-14-12-17-19(21(23-14)29-16-3-8-27-9-4-16)20(25-24-17)15-2-5-22-18(13-15)26-6-10-28-11-7-26/h2,5,12-13,16H,3-4,6-11H2,1H3,(H,24,25)
InChIKeyRBHXAAPOZNMAMC-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.72
Rot. Bonds4

About 4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine

4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (PubChem CID 54673405) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
PubChem CID54673405
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESCc1cc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c(OC2CCOCC2)n1
InChIInChI=1S/C21H25N5O3/c1-14-12-17-19(21(23-14)29-16-3-8-27-9-4-16)20(25-24-17)15-2-5-22-18(13-15)26-6-10-28-11-7-26/h2,5,12-13,16H,3-4,6-11H2,1H3,(H,24,25)
InChIKeyRBHXAAPOZNMAMC-UHFFFAOYSA-N
XLogP2.72
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (CID 54673405) is 4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is Cc1cc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c(OC2CCOCC2)n1.
What is the InChIKey of 4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is RBHXAAPOZNMAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-12-17-19(21(23-14)29-16-3-8-27-9-4-16)20(25-24-17)15-2-5-22-18(13-15)26-6-10-28-11-7-26/h2,5,12-13,16H,3-4,6-11H2,1H3,(H,24,25).
What are the key properties of 4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 395.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 54673405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).