(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

C24H22N6O2 — CID 166616143

IUPAC(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
SMILESCc1cccc2nc(C(=O)N3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3c3cnn(C)c3)cn12
InChIInChI=1S/C24H22N6O2/c1-15-6-5-9-20-26-19(14-30(15)20)22(31)29-11-10-24(21(29)16-12-25-28(2)13-16)17-7-3-4-8-18(17)27-23(24)32/h3-9,12-14,21H,10-11H2,1-2H3,(H,27,32)/t21-,24+/m0/s1
InChIKeyPXEAXFJVEIDRFC-XUZZJYLKSA-N
MW426.48 g/mol
LogP2.85
Rot. Bonds2

About (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

(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 (PubChem CID 166616143) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166616143
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name(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
SMILESCc1cccc2nc(C(=O)N3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3c3cnn(C)c3)cn12
InChIInChI=1S/C24H22N6O2/c1-15-6-5-9-20-26-19(14-30(15)20)22(31)29-11-10-24(21(29)16-12-25-28(2)13-16)17-7-3-4-8-18(17)27-23(24)32/h3-9,12-14,21H,10-11H2,1-2H3,(H,27,32)/t21-,24+/m0/s1
InChIKeyPXEAXFJVEIDRFC-XUZZJYLKSA-N
XLogP2.85
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cccc2nc(C(=O)N3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3c3cnn(C)c3)cn12.
What is the InChIKey of (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?
The InChIKey is PXEAXFJVEIDRFC-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-15-6-5-9-20-26-19(14-30(15)20)22(31)29-11-10-24(21(29)16-12-25-28(2)13-16)17-7-3-4-8-18(17)27-23(24)32/h3-9,12-14,21H,10-11H2,1-2H3,(H,27,32)/t21-,24+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 426.48 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166616143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).