(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H21N5O2 — CID 166612718

IUPAC(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1cccnc1C(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C22H21N5O2/c1-14-6-5-10-23-18(14)20(28)27-11-9-22(19(27)15-12-24-26(2)13-15)16-7-3-4-8-17(16)25-21(22)29/h3-8,10,12-13,19H,9,11H2,1-2H3,(H,25,29)/t19-,22+/m0/s1
InChIKeyPJDFNIFWTCIHLU-SIKLNZKXSA-N
MW387.44 g/mol
LogP2.60
Rot. Bonds2

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

(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166612718) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166612718
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1cccnc1C(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C22H21N5O2/c1-14-6-5-10-23-18(14)20(28)27-11-9-22(19(27)15-12-24-26(2)13-15)16-7-3-4-8-17(16)25-21(22)29/h3-8,10,12-13,19H,9,11H2,1-2H3,(H,25,29)/t19-,22+/m0/s1
InChIKeyPJDFNIFWTCIHLU-SIKLNZKXSA-N
XLogP2.60
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613772
(2'S,3R)-1'-acetyl-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615777
2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615505
1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624374
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619418
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'-(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
(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(2-pyrazol-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619612
(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
1'-(4-chloro-3-hydroxybenzoyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618576

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166612718) is (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cc1cccnc1C(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1cnn(C)c1.
What is the InChIKey of (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is PJDFNIFWTCIHLU-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-6-5-10-23-18(14)20(28)27-11-9-22(19(27)15-12-24-26(2)13-15)16-7-3-4-8-17(16)25-21(22)29/h3-8,10,12-13,19H,9,11H2,1-2H3,(H,25,29)/t19-,22+/m0/s1.
What are the key properties of (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 387.44 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166612718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).