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

C24H28N4O3 — CID 118401375

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(N3CCOCC3)cc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H28N4O3/c1-16(19-13-24(29)25-14-19)31-23-12-18(11-22-21(23)15-27(2)26-22)17-3-5-20(6-4-17)28-7-9-30-10-8-28/h3-6,11-12,15-16,19H,7-10,13-14H2,1-2H3,(H,25,29)/t16-,19-/m1/s1
InChIKeyQKPIWWMVTJIOSA-VQIMIIECSA-N
MW420.51 g/mol
LogP2.98
Rot. Bonds5

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

(4R)-4-[(1R)-1-[2-methyl-6-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401375) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401375
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(N3CCOCC3)cc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H28N4O3/c1-16(19-13-24(29)25-14-19)31-23-12-18(11-22-21(23)15-27(2)26-22)17-3-5-20(6-4-17)28-7-9-30-10-8-28/h3-6,11-12,15-16,19H,7-10,13-14H2,1-2H3,(H,25,29)/t16-,19-/m1/s1
InChIKeyQKPIWWMVTJIOSA-VQIMIIECSA-N
XLogP2.98
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.98
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-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401375) is (4R)-4-[(1R)-1-[2-methyl-6-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2-methyl-6-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc(N3CCOCC3)cc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is QKPIWWMVTJIOSA-VQIMIIECSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16(19-13-24(29)25-14-19)31-23-12-18(11-22-21(23)15-27(2)26-22)17-3-5-20(6-4-17)28-7-9-30-10-8-28/h3-6,11-12,15-16,19H,7-10,13-14H2,1-2H3,(H,25,29)/t16-,19-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 420.51 g/mol, XLogP of 2.98, 5 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-(4-morpholin-4-ylphenyl)indazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).