(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone

C26H29N7O2 — CID 170682927

About (5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone

(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone (PubChem CID 170682927) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is (5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone.

Molecular Properties

• Compound Name: (5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone
• PubChem CID: 170682927
• Molecular Formula: C26H29N7O2
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.24
• IUPAC Name: (5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone
• SMILES: Nc1ccc2c(n1)CCN2C(=O)c1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(CO)n1
• InChI: InChI=1S/C26H29N7O2/c27-22-6-5-21-18(31-22)7-10-33(21)25(35)19-14-29-24(20(15-34)30-19)32-11-8-26(9-12-32)13-16-3-1-2-4-17(16)23(26)28/h1-6,14,23,34H,7-13,15,28H2,(H2,27,31)/t23-/m1/s1
• InChIKey: JMHHKZIVPZHTJI-HSZRJFAPSA-N
• XLogP: 1.99
• TPSA: 134.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone?

The IUPAC name of (5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone (CID 170682927) is (5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone.

What is the SMILES notation for (5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone?

The canonical SMILES for (5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone is Nc1ccc2c(n1)CCN2C(=O)c1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(CO)n1.

What is the InChIKey of (5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone?

The InChIKey is JMHHKZIVPZHTJI-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29N7O2/c27-22-6-5-21-18(31-22)7-10-33(21)25(35)19-14-29-24(20(15-34)30-19)32-11-8-26(9-12-32)13-16-3-1-2-4-17(16)23(26)28/h1-6,14,23,34H,7-13,15,28H2,(H2,27,31)/t23-/m1/s1.

What are the key properties of (5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone?

(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone has a molecular weight of 471.57 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone is sourced from PubChem (CID 170682927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).