(4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one

C18H21N5O2 — CID 118401376

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccn(C)n2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C18H21N5O2/c1-11(13-8-18(24)19-9-13)25-17-7-12(15-4-5-22(2)20-15)6-16-14(17)10-23(3)21-16/h4-7,10-11,13H,8-9H2,1-3H3,(H,19,24)/t11-,13-/m1/s1
InChIKeyCLTIPHRPLVYUPM-DGCLKSJQSA-N
MW339.40 g/mol
LogP1.88
Rot. Bonds4

About (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401376) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401376
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccn(C)n2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C18H21N5O2/c1-11(13-8-18(24)19-9-13)25-17-7-12(15-4-5-22(2)20-15)6-16-14(17)10-23(3)21-16/h4-7,10-11,13H,8-9H2,1-3H3,(H,19,24)/t11-,13-/m1/s1
InChIKeyCLTIPHRPLVYUPM-DGCLKSJQSA-N
XLogP1.88
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401376) is (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-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)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is CLTIPHRPLVYUPM-DGCLKSJQSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11(13-8-18(24)19-9-13)25-17-7-12(15-4-5-22(2)20-15)6-16-14(17)10-23(3)21-16/h4-7,10-11,13H,8-9H2,1-3H3,(H,19,24)/t11-,13-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).