[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone

C25H28N8O — CID 170683175

About [3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone

[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone (PubChem CID 170683175) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is [3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone.

Molecular Properties

• Compound Name: [3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
• PubChem CID: 170683175
• Molecular Formula: C25H28N8O
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.24
• IUPAC Name: [3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
• SMILES: Nc1ccc2c(n1)CCN2C(=O)c1ncc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc1N
• InChI: InChI=1S/C25H28N8O/c26-19-6-5-18-17(30-19)7-10-33(18)24(34)21-23(28)31-20(14-29-21)32-11-8-25(9-12-32)13-15-3-1-2-4-16(15)22(25)27/h1-6,14,22H,7-13,27H2,(H2,26,30)(H2,28,31)/t22-/m1/s1
• InChIKey: LNJIGGPIZUGVFA-JOCHJYFZSA-N
• XLogP: 2.08
• TPSA: 140.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone?

The IUPAC name of [3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone (CID 170683175) is [3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone.

What is the SMILES notation for [3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone?

The canonical SMILES for [3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone is Nc1ccc2c(n1)CCN2C(=O)c1ncc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc1N.

What is the InChIKey of [3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone?

The InChIKey is LNJIGGPIZUGVFA-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N8O/c26-19-6-5-18-17(30-19)7-10-33(18)24(34)21-23(28)31-20(14-29-21)32-11-8-25(9-12-32)13-15-3-1-2-4-16(15)22(25)27/h1-6,14,22H,7-13,27H2,(H2,26,30)(H2,28,31)/t22-/m1/s1.

What are the key properties of [3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone?

[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone has a molecular weight of 456.55 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone is sourced from PubChem (CID 170683175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).