4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C25H30N4O5 — CID 123787646

IUPAC4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(OC(C)C3CNC(=O)C3)n2)ccc1OC1CCOCC1
InChIInChI=1S/C25H30N4O5/c1-15(17-11-24(30)26-13-17)33-25-19-14-29(2)28-21(19)12-20(27-25)16-4-5-22(23(10-16)31-3)34-18-6-8-32-9-7-18/h4-5,10,12,14-15,17-18H,6-9,11,13H2,1-3H3,(H,26,30)
InChIKeyKEUUHGXFJBNICQ-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.11
Rot. Bonds7

About 4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 123787646) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID123787646
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(OC(C)C3CNC(=O)C3)n2)ccc1OC1CCOCC1
InChIInChI=1S/C25H30N4O5/c1-15(17-11-24(30)26-13-17)33-25-19-14-29(2)28-21(19)12-20(27-25)16-4-5-22(23(10-16)31-3)34-18-6-8-32-9-7-18/h4-5,10,12,14-15,17-18H,6-9,11,13H2,1-3H3,(H,26,30)
InChIKeyKEUUHGXFJBNICQ-UHFFFAOYSA-N
XLogP3.11
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 123787646) is 4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc3nn(C)cc3c(OC(C)C3CNC(=O)C3)n2)ccc1OC1CCOCC1.
What is the InChIKey of 4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is KEUUHGXFJBNICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-15(17-11-24(30)26-13-17)33-25-19-14-29(2)28-21(19)12-20(27-25)16-4-5-22(23(10-16)31-3)34-18-6-8-32-9-7-18/h4-5,10,12,14-15,17-18H,6-9,11,13H2,1-3H3,(H,26,30).
What are the key properties of 4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 466.54 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-[3-methoxy-4-(oxan-4-yloxy)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123787646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).