(4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one

C22H21ClN4O2 — CID 118401491

IUPAC(4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(-c2cc3cccc(Cl)c3[nH]2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H21ClN4O2/c1-12(15-9-21(28)24-10-15)29-20-8-14(7-19-16(20)11-27(2)26-19)18-6-13-4-3-5-17(23)22(13)25-18/h3-8,11-12,15,25H,9-10H2,1-2H3,(H,24,28)/t12?,15-/m1/s1
InChIKeyLRAFYYSPQVKRQK-WPZCJLIBSA-N
MW408.89 g/mol
LogP4.28
Rot. Bonds4

About (4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401491) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is (4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401491
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name(4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(-c2cc3cccc(Cl)c3[nH]2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H21ClN4O2/c1-12(15-9-21(28)24-10-15)29-20-8-14(7-19-16(20)11-27(2)26-19)18-6-13-4-3-5-17(23)22(13)25-18/h3-8,11-12,15,25H,9-10H2,1-2H3,(H,24,28)/t12?,15-/m1/s1
InChIKeyLRAFYYSPQVKRQK-WPZCJLIBSA-N
XLogP4.28
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401491) is (4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one is CC(Oc1cc(-c2cc3cccc(Cl)c3[nH]2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is LRAFYYSPQVKRQK-WPZCJLIBSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-12(15-9-21(28)24-10-15)29-20-8-14(7-19-16(20)11-27(2)26-19)18-6-13-4-3-5-17(23)22(13)25-18/h3-8,11-12,15,25H,9-10H2,1-2H3,(H,24,28)/t12?,15-/m1/s1.
What are the key properties of (4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 408.89 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).