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

C22H26N4O3 — CID 66828942

IUPAC4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine
SMILESc1cc(CN2CCOCC2)cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1
InChIInChI=1S/C22H26N4O3/c1-2-16(15-26-8-12-28-13-9-26)14-17(3-1)21-20-19(24-25-21)4-7-23-22(20)29-18-5-10-27-11-6-18/h1-4,7,14,18H,5-6,8-13,15H2,(H,24,25)
InChIKeyIFGKQZUPPRJIAZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.01
Rot. Bonds5

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

4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine (PubChem CID 66828942) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine
PubChem CID66828942
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine
SMILESc1cc(CN2CCOCC2)cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1
InChIInChI=1S/C22H26N4O3/c1-2-16(15-26-8-12-28-13-9-26)14-17(3-1)21-20-19(24-25-21)4-7-23-22(20)29-18-5-10-27-11-6-18/h1-4,7,14,18H,5-6,8-13,15H2,(H,24,25)
InChIKeyIFGKQZUPPRJIAZ-UHFFFAOYSA-N
XLogP3.01
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine with MolForge

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Related Compounds

CID 11151363
CID 11151363
CID 11314340
CID 11314340
CID 11610553
CID 11610553
CID 16733025
CID 16733025
CID 90400979
CID 90400979
CID 44141871
CID 44141871
CID 11327794
CID 11327794
CID 11604319
CID 11604319
CID 16731501
CID 16731501
CID 16731505
CID 16731505
CID 16731507
CID 16731507
CID 16731988
CID 16731988

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine (CID 66828942) is 4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine is c1cc(CN2CCOCC2)cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1.
What is the InChIKey of 4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine?
The InChIKey is IFGKQZUPPRJIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-16(15-26-8-12-28-13-9-26)14-17(3-1)21-20-19(24-25-21)4-7-23-22(20)29-18-5-10-27-11-6-18/h1-4,7,14,18H,5-6,8-13,15H2,(H,24,25).
What are the key properties of 4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine?
4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine has a molecular weight of 394.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 66828942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).