4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C21H24ClN5O3 — CID 123700726

IUPAC4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(-c2cnn(C3CCOCC3)c2)cn2ncc(Cl)c12)C1CNC(=O)C1
InChIInChI=1S/C21H24ClN5O3/c1-13(14-7-20(28)23-8-14)30-19-6-15(11-27-21(19)18(22)10-25-27)16-9-24-26(12-16)17-2-4-29-5-3-17/h6,9-14,17H,2-5,7-8H2,1H3,(H,23,28)
InChIKeyYFYZDZYPIFGMAR-UHFFFAOYSA-N
MW429.91 g/mol
LogP3.11
Rot. Bonds5

About 4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 123700726) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is 4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID123700726
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(-c2cnn(C3CCOCC3)c2)cn2ncc(Cl)c12)C1CNC(=O)C1
InChIInChI=1S/C21H24ClN5O3/c1-13(14-7-20(28)23-8-14)30-19-6-15(11-27-21(19)18(22)10-25-27)16-9-24-26(12-16)17-2-4-29-5-3-17/h6,9-14,17H,2-5,7-8H2,1H3,(H,23,28)
InChIKeyYFYZDZYPIFGMAR-UHFFFAOYSA-N
XLogP3.11
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 123700726) is 4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is CC(Oc1cc(-c2cnn(C3CCOCC3)c2)cn2ncc(Cl)c12)C1CNC(=O)C1.
What is the InChIKey of 4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is YFYZDZYPIFGMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-13(14-7-20(28)23-8-14)30-19-6-15(11-27-21(19)18(22)10-25-27)16-9-24-26(12-16)17-2-4-29-5-3-17/h6,9-14,17H,2-5,7-8H2,1H3,(H,23,28).
What are the key properties of 4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 429.91 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-chloro-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123700726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).