(2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C19H22N4O3 — CID 166616895

IUPAC(2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)C2=NNC(=O)CC2)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C19H22N4O3/c1-2-5-15-19(12-6-3-4-7-13(12)20-18(19)26)10-11-23(15)17(25)14-8-9-16(24)22-21-14/h3-4,6-7,15H,2,5,8-11H2,1H3,(H,20,26)(H,22,24)/t15-,19-/m0/s1
InChIKeyPVFQRHYADPMWFH-KXBFYZLASA-N
MW354.41 g/mol
LogP1.54
Rot. Bonds3

About (2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166616895) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166616895
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)C2=NNC(=O)CC2)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C19H22N4O3/c1-2-5-15-19(12-6-3-4-7-13(12)20-18(19)26)10-11-23(15)17(25)14-8-9-16(24)22-21-14/h3-4,6-7,15H,2,5,8-11H2,1H3,(H,20,26)(H,22,24)/t15-,19-/m0/s1
InChIKeyPVFQRHYADPMWFH-KXBFYZLASA-N
XLogP1.54
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166616895) is (2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)C2=NNC(=O)CC2)CC[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is PVFQRHYADPMWFH-KXBFYZLASA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-5-15-19(12-6-3-4-7-13(12)20-18(19)26)10-11-23(15)17(25)14-8-9-16(24)22-21-14/h3-4,6-7,15H,2,5,8-11H2,1H3,(H,20,26)(H,22,24)/t15-,19-/m0/s1.
What are the key properties of (2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166616895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).