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

C21H22N6O2 — CID 118401302

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc3cnn(C)c3c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C21H22N6O2/c1-12(15-7-20(28)22-9-15)29-21-16-11-26(2)25-18(16)8-17(24-21)13-4-5-14-10-23-27(3)19(14)6-13/h4-6,8,10-12,15H,7,9H2,1-3H3,(H,22,28)/t12-,15-/m1/s1
InChIKeyGJMGDJLPYMRMGF-IUODEOHRSA-N
MW390.45 g/mol
LogP2.43
Rot. Bonds4

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

(4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401302) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401302
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc3cnn(C)c3c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C21H22N6O2/c1-12(15-7-20(28)22-9-15)29-21-16-11-26(2)25-18(16)8-17(24-21)13-4-5-14-10-23-27(3)19(14)6-13/h4-6,8,10-12,15H,7,9H2,1-3H3,(H,22,28)/t12-,15-/m1/s1
InChIKeyGJMGDJLPYMRMGF-IUODEOHRSA-N
XLogP2.43
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401302) is (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2ccc3cnn(C)c3c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is GJMGDJLPYMRMGF-IUODEOHRSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-12(15-7-20(28)22-9-15)29-21-16-11-26(2)25-18(16)8-17(24-21)13-4-5-14-10-23-27(3)19(14)6-13/h4-6,8,10-12,15H,7,9H2,1-3H3,(H,22,28)/t12-,15-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 390.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[2-methyl-6-(1-methylindazol-6-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).