2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone

C25H31N7O3 — CID 138686971

About 2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone

2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone (PubChem CID 138686971) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone
• PubChem CID: 138686971
• Molecular Formula: C25H31N7O3
• Molecular Weight: 477.57 g/mol
• Exact Mass: 477.25
• IUPAC Name: 2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone
• SMILES: COc1cc(-c2[nH]c3ccc(C4CN(C(=O)CN(C)C)CCO4)nc3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C25H31N7O3/c1-15(2)22-23(16-10-19(34-5)25-26-14-27-32(25)11-16)29-18-7-6-17(28-24(18)22)20-12-31(8-9-35-20)21(33)13-30(3)4/h6-7,10-11,14-15,20,29H,8-9,12-13H2,1-5H3
• InChIKey: LWRAPPJWUQNCEA-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 100.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.57
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone?

The IUPAC name of 2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone (CID 138686971) is 2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone.

What is the SMILES notation for 2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone?

The canonical SMILES for 2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone is COc1cc(-c2[nH]c3ccc(C4CN(C(=O)CN(C)C)CCO4)nc3c2C(C)C)cn2ncnc12.

What is the InChIKey of 2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone?

The InChIKey is LWRAPPJWUQNCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-15(2)22-23(16-10-19(34-5)25-26-14-27-32(25)11-16)29-18-7-6-17(28-24(18)22)20-12-31(8-9-35-20)21(33)13-30(3)4/h6-7,10-11,14-15,20,29H,8-9,12-13H2,1-5H3.

What are the key properties of 2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone?

2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone has a molecular weight of 477.57 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 138686971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).