(2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C21H21N5O2 — CID 166619524

IUPAC(2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2cn3cccnc3n2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C21H21N5O2/c1-2-6-17-21(14-7-3-4-8-15(14)23-19(21)28)9-12-26(17)18(27)16-13-25-11-5-10-22-20(25)24-16/h3-5,7-8,10-11,13,17H,2,6,9,12H2,1H3,(H,23,28)/t17-,21+/m0/s1
InChIKeyNXUGVNSKCZIZEO-LAUBAEHRSA-N
MW375.43 g/mol
LogP2.63
Rot. Bonds3

About (2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166619524) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166619524
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2cn3cccnc3n2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C21H21N5O2/c1-2-6-17-21(14-7-3-4-8-15(14)23-19(21)28)9-12-26(17)18(27)16-13-25-11-5-10-22-20(25)24-16/h3-5,7-8,10-11,13,17H,2,6,9,12H2,1H3,(H,23,28)/t17-,21+/m0/s1
InChIKeyNXUGVNSKCZIZEO-LAUBAEHRSA-N
XLogP2.63
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427079
(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613101
(2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615299
(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165423546
(2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619328
(2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620844
(2'S,3R)-1'-(1-methyl-2-oxopyridine-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616803
(2'S,3S)-1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427134
(2'S,3R)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618128
(2'S,3S)-2'-propyl-1'-(3-pyridin-4-ylpropanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618565
(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620952
(2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616899

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166619524) is (2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2cn3cccnc3n2)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is NXUGVNSKCZIZEO-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-2-6-17-21(14-7-3-4-8-15(14)23-19(21)28)9-12-26(17)18(27)16-13-25-11-5-10-22-20(25)24-16/h3-5,7-8,10-11,13,17H,2,6,9,12H2,1H3,(H,23,28)/t17-,21+/m0/s1.
What are the key properties of (2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 375.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166619524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).