4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C21H26N6O3 — CID 123210924

IUPAC4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1nc(-c2cnn(C3CCOCC3)c2)cc2nn(C)cc12)C1CNC(=O)C1
InChIInChI=1S/C21H26N6O3/c1-13(14-7-20(28)22-9-14)30-21-17-12-26(2)25-19(17)8-18(24-21)15-10-23-27(11-15)16-3-5-29-6-4-16/h8,10-14,16H,3-7,9H2,1-2H3,(H,22,28)
InChIKeyUVRJWEUJBBMTEW-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.09
Rot. Bonds5

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

4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 123210924) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID123210924
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1nc(-c2cnn(C3CCOCC3)c2)cc2nn(C)cc12)C1CNC(=O)C1
InChIInChI=1S/C21H26N6O3/c1-13(14-7-20(28)22-9-14)30-21-17-12-26(2)25-19(17)8-18(24-21)15-10-23-27(11-15)16-3-5-29-6-4-16/h8,10-14,16H,3-7,9H2,1-2H3,(H,22,28)
InChIKeyUVRJWEUJBBMTEW-UHFFFAOYSA-N
XLogP2.09
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 123210924) is 4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is CC(Oc1nc(-c2cnn(C3CCOCC3)c2)cc2nn(C)cc12)C1CNC(=O)C1.
What is the InChIKey of 4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is UVRJWEUJBBMTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-13(14-7-20(28)22-9-14)30-21-17-12-26(2)25-19(17)8-18(24-21)15-10-23-27(11-15)16-3-5-29-6-4-16/h8,10-14,16H,3-7,9H2,1-2H3,(H,22,28).
What are the key properties of 4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 410.48 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-methyl-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123210924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).