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

C17H20N6O2 — CID 122498422

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccn(C)n2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C17H20N6O2/c1-10(11-6-16(24)18-8-11)25-17-12-9-23(3)21-14(12)7-15(19-17)13-4-5-22(2)20-13/h4-5,7,9-11H,6,8H2,1-3H3,(H,18,24)/t10-,11-/m1/s1
InChIKeyZEFQEAUXLCDAAN-GHMZBOCLSA-N
MW340.39 g/mol
LogP1.27
Rot. Bonds4

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

(4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 122498422) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID122498422
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccn(C)n2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C17H20N6O2/c1-10(11-6-16(24)18-8-11)25-17-12-9-23(3)21-14(12)7-15(19-17)13-4-5-22(2)20-13/h4-5,7,9-11H,6,8H2,1-3H3,(H,18,24)/t10-,11-/m1/s1
InChIKeyZEFQEAUXLCDAAN-GHMZBOCLSA-N
XLogP1.27
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 122498422) is (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-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-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2ccn(C)n2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is ZEFQEAUXLCDAAN-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10(11-6-16(24)18-8-11)25-17-12-9-23(3)21-14(12)7-15(19-17)13-4-5-22(2)20-13/h4-5,7,9-11H,6,8H2,1-3H3,(H,18,24)/t10-,11-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 340.39 g/mol, XLogP of 1.27, 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-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 122498422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).