2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine

C22H26N6O — CID 138686814

About 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine

2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine (PubChem CID 138686814) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine.

Molecular Properties

• Compound Name: 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine
• PubChem CID: 138686814
• Molecular Formula: C22H26N6O
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.22
• IUPAC Name: 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine
• SMILES: Cc1c(-c2[nH]c3ccc(C4CNCCO4)nc3c2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/C22H26N6O/c1-12(2)19-20(15-10-28-22(24-11-25-28)14(4)13(15)3)27-17-6-5-16(26-21(17)19)18-9-23-7-8-29-18/h5-6,10-12,18,23,27H,7-9H2,1-4H3
• InChIKey: BRRUAZIXLYEWDH-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 80.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine?

The IUPAC name of 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine (CID 138686814) is 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine.

What is the SMILES notation for 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine?

The canonical SMILES for 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine is Cc1c(-c2[nH]c3ccc(C4CNCCO4)nc3c2C(C)C)cn2ncnc2c1C.

What is the InChIKey of 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine?

The InChIKey is BRRUAZIXLYEWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-12(2)19-20(15-10-28-22(24-11-25-28)14(4)13(15)3)27-17-6-5-16(26-21(17)19)18-9-23-7-8-29-18/h5-6,10-12,18,23,27H,7-9H2,1-4H3.

What are the key properties of 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine?

2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine has a molecular weight of 390.49 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]morpholine is sourced from PubChem (CID 138686814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).