(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

C28H34N6O3 — CID 164555959

About (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 164555959) has the molecular formula C28H34N6O3 and a molecular weight of 502.62 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

• Compound Name: (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
• PubChem CID: 164555959
• Molecular Formula: C28H34N6O3
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.27
• IUPAC Name: (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
• SMILES: CCOc1ccc2cc(-c3nc4cc(C(=O)N5CCCC(N)C5)cc(OC)n4c3C)n(CC3CC3)c2n1
• InChI: InChI=1S/C28H34N6O3/c1-4-37-24-10-9-19-12-22(33(27(19)31-24)15-18-7-8-18)26-17(2)34-23(30-26)13-20(14-25(34)36-3)28(35)32-11-5-6-21(29)16-32/h9-10,12-14,18,21H,4-8,11,15-16,29H2,1-3H3
• InChIKey: VXUGDWXVTQLDRX-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 99.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The IUPAC name of (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 164555959) is (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The canonical SMILES for (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is CCOc1ccc2cc(-c3nc4cc(C(=O)N5CCCC(N)C5)cc(OC)n4c3C)n(CC3CC3)c2n1.

What is the InChIKey of (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The InChIKey is VXUGDWXVTQLDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3/c1-4-37-24-10-9-19-12-22(33(27(19)31-24)15-18-7-8-18)26-17(2)34-23(30-26)13-20(14-25(34)36-3)28(35)32-11-5-6-21(29)16-32/h9-10,12-14,18,21H,4-8,11,15-16,29H2,1-3H3.

What are the key properties of (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 502.62 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 164555959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).