1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C24H24N6O2 — CID 166622722

About 1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166622722) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

• Compound Name: 1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
• PubChem CID: 166622722
• Molecular Formula: C24H24N6O2
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.20
• IUPAC Name: 1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
• SMILES: CC(C)Nc1ncc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)cn1
• InChI: InChI=1S/C24H24N6O2/c1-15(2)28-23-26-13-17(14-27-23)21(31)30-11-9-24(20(30)16-6-5-10-25-12-16)18-7-3-4-8-19(18)29-22(24)32/h3-8,10,12-15,20H,9,11H2,1-2H3,(H,29,32)(H,26,27,28)
• InChIKey: HGRJFBWHHJFTKG-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 100.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

The IUPAC name of 1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166622722) is 1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

What is the SMILES notation for 1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

The canonical SMILES for 1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CC(C)Nc1ncc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)cn1.

What is the InChIKey of 1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

The InChIKey is HGRJFBWHHJFTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15(2)28-23-26-13-17(14-27-23)21(31)30-11-9-24(20(30)16-6-5-10-25-12-16)18-7-3-4-8-19(18)29-22(24)32/h3-8,10,12-15,20H,9,11H2,1-2H3,(H,29,32)(H,26,27,28).

What are the key properties of 1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?

1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 428.50 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166622722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).