2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C19H17N5O2S — CID 166615505

IUPAC2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(C2N(C(=O)c3cncs3)CCC23C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C19H17N5O2S/c1-23-10-12(8-21-23)16-19(13-4-2-3-5-14(13)22-18(19)26)6-7-24(16)17(25)15-9-20-11-27-15/h2-5,8-11,16H,6-7H2,1H3,(H,22,26)
InChIKeyHHTLDTGZQQLNGF-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.35
Rot. Bonds2

About 2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166615505) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166615505
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(C2N(C(=O)c3cncs3)CCC23C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C19H17N5O2S/c1-23-10-12(8-21-23)16-19(13-4-2-3-5-14(13)22-18(19)26)6-7-24(16)17(25)15-9-20-11-27-15/h2-5,8-11,16H,6-7H2,1H3,(H,22,26)
InChIKeyHHTLDTGZQQLNGF-UHFFFAOYSA-N
XLogP2.35
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2'S,3R)-1'-acetyl-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615777
1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613772
(2'S,3R)-1'-(5-chloropyridine-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619982
(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612718
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619418
(2'S,3R)-1'-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622388
1'-(4-chloro-3-hydroxybenzoyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618576
1'-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615974
1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624374
(2'S,3R)-1'-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616143
(2'S,3R)-1'-[2-(1-methylpiperidin-4-yl)acetyl]-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621450
(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(2-pyrazol-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619612

Frequently Asked Questions

What is the IUPAC name of 2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166615505) is 2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1cc(C2N(C(=O)c3cncs3)CCC23C(=O)Nc2ccccc23)cn1.
What is the InChIKey of 2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HHTLDTGZQQLNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-23-10-12(8-21-23)16-19(13-4-2-3-5-14(13)22-18(19)26)6-7-24(16)17(25)15-9-20-11-27-15/h2-5,8-11,16H,6-7H2,1H3,(H,22,26).
What are the key properties of 2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 379.45 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166615505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).