(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide

C22H32N4O3 — CID 90065226

About (2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide (PubChem CID 90065226) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide
• PubChem CID: 90065226
• Molecular Formula: C22H32N4O3
• Molecular Weight: 400.52 g/mol
• Exact Mass: 400.25
• IUPAC Name: (2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide
• SMILES: COCCCc1cn(C)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)nc12
• InChI: InChI=1S/C22H32N4O3/c1-15(26(17-6-7-17)22(27)20-13-23-10-12-29-20)18-8-9-19-21(24-18)16(14-25(19)2)5-4-11-28-3/h8-9,14-15,17,20,23H,4-7,10-13H2,1-3H3/t15-,20-/m1/s1
• InChIKey: FEQHGFGLFFNIDG-FOIQADDNSA-N
• XLogP: 2.19
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.52
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide?

The IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide (CID 90065226) is (2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide.

What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide?

The canonical SMILES for (2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide is COCCCc1cn(C)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)nc12.

What is the InChIKey of (2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide?

The InChIKey is FEQHGFGLFFNIDG-FOIQADDNSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-15(26(17-6-7-17)22(27)20-13-23-10-12-29-20)18-8-9-19-21(24-18)16(14-25(19)2)5-4-11-28-3/h8-9,14-15,17,20,23H,4-7,10-13H2,1-3H3/t15-,20-/m1/s1.

What are the key properties of (2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide?

(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 90065226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).