morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone

C20H28N4O3 — CID 16727359

About morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone

morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone (PubChem CID 16727359) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

• Compound Name: morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
• PubChem CID: 16727359
• Molecular Formula: C20H28N4O3
• Molecular Weight: 372.47 g/mol
• Exact Mass: 372.22
• IUPAC Name: morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
• SMILES: CC(C)N1CCC(Oc2cnc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1
• InChI: InChI=1S/C20H28N4O3/c1-14(2)23-5-3-16(4-6-23)27-17-11-15-12-18(22-19(15)21-13-17)20(25)24-7-9-26-10-8-24/h11-14,16H,3-10H2,1-2H3,(H,21,22)
• InChIKey: HLPPWTZKZWLNGE-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 70.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?

The IUPAC name of morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone (CID 16727359) is morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone.

What is the SMILES notation for morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?

The canonical SMILES for morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is CC(C)N1CCC(Oc2cnc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1.

What is the InChIKey of morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?

The InChIKey is HLPPWTZKZWLNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14(2)23-5-3-16(4-6-23)27-17-11-15-12-18(22-19(15)21-13-17)20(25)24-7-9-26-10-8-24/h11-14,16H,3-10H2,1-2H3,(H,21,22).

What are the key properties of morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?

morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 16727359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).