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

C21H26N6O3 — CID 118386419

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2cnn(C3CCCCO3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C21H26N6O3/c1-13(14-7-19(28)22-9-14)30-21-16-12-26(2)25-18(16)8-17(24-21)15-10-23-27(11-15)20-5-3-4-6-29-20/h8,10-14,20H,3-7,9H2,1-2H3,(H,22,28)/t13-,14-,20?/m1/s1
InChIKeyMXMWINWGGNIQQE-SYVYAKSWSA-N
MW410.48 g/mol
LogP2.43
Rot. Bonds5

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

(4R)-4-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118386419) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118386419
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2cnn(C3CCCCO3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C21H26N6O3/c1-13(14-7-19(28)22-9-14)30-21-16-12-26(2)25-18(16)8-17(24-21)15-10-23-27(11-15)20-5-3-4-6-29-20/h8,10-14,20H,3-7,9H2,1-2H3,(H,22,28)/t13-,14-,20?/m1/s1
InChIKeyMXMWINWGGNIQQE-SYVYAKSWSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118386419) is (4R)-4-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-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-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2cnn(C3CCCCO3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is MXMWINWGGNIQQE-SYVYAKSWSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-13(14-7-19(28)22-9-14)30-21-16-12-26(2)25-18(16)8-17(24-21)15-10-23-27(11-15)20-5-3-4-6-29-20/h8,10-14,20H,3-7,9H2,1-2H3,(H,22,28)/t13-,14-,20?/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-[1-(oxan-2-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 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[2-methyl-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118386419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).