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

C22H22N6O2 — CID 166624374

IUPAC1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(C2N(C(=O)c3cc(C4CC4)[nH]n3)CCC23C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C22H22N6O2/c1-27-12-14(11-23-27)19-22(15-4-2-3-5-16(15)24-21(22)30)8-9-28(19)20(29)18-10-17(25-26-18)13-6-7-13/h2-5,10-13,19H,6-9H2,1H3,(H,24,30)(H,25,26)
InChIKeyUWCURHKADBTORA-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.50
Rot. Bonds3

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

1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166624374) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166624374
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(C2N(C(=O)c3cc(C4CC4)[nH]n3)CCC23C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C22H22N6O2/c1-27-12-14(11-23-27)19-22(15-4-2-3-5-16(15)24-21(22)30)8-9-28(19)20(29)18-10-17(25-26-18)13-6-7-13/h2-5,10-13,19H,6-9H2,1H3,(H,24,30)(H,25,26)
InChIKeyUWCURHKADBTORA-UHFFFAOYSA-N
XLogP2.50
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612718
(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)-1'-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616143
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'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615505
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
(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'-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624427
(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

Frequently Asked Questions

What is the IUPAC name of 1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166624374) is 1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1cc(C2N(C(=O)c3cc(C4CC4)[nH]n3)CCC23C(=O)Nc2ccccc23)cn1.
What is the InChIKey of 1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is UWCURHKADBTORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-27-12-14(11-23-27)19-22(15-4-2-3-5-16(15)24-21(22)30)8-9-28(19)20(29)18-10-17(25-26-18)13-6-7-13/h2-5,10-13,19H,6-9H2,1H3,(H,24,30)(H,25,26).
What are the key properties of 1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 402.46 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166624374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).