(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide

C22H32N4O3 — CID 118313069

About (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide (PubChem CID 118313069) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide
• PubChem CID: 118313069
• Molecular Formula: C22H32N4O3
• Molecular Weight: 400.52 g/mol
• Exact Mass: 400.25
• IUPAC Name: (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide
• SMILES: COCCCn1cc(C)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)nc21
• InChI: InChI=1S/C22H32N4O3/c1-15-14-25(10-4-11-28-3)21-18(15)7-8-19(24-21)16(2)26(17-5-6-17)22(27)20-13-23-9-12-29-20/h7-8,14,16-17,20,23H,4-6,9-13H2,1-3H3/t16-,20-/m1/s1
• InChIKey: WANYEOLEAQKIDC-OXQOHEQNSA-N
• XLogP: 2.42
• 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	2.42
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-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide?

The IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide (CID 118313069) is (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide.

What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide?

The canonical SMILES for (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide is COCCCn1cc(C)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)nc21.

What is the InChIKey of (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide?

The InChIKey is WANYEOLEAQKIDC-OXQOHEQNSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-15-14-25(10-4-11-28-3)21-18(15)7-8-19(24-21)16(2)26(17-5-6-17)22(27)20-13-23-9-12-29-20/h7-8,14,16-17,20,23H,4-6,9-13H2,1-3H3/t16-,20-/m1/s1.

What are the key properties of (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide?

(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.42, 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-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 118313069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).