(2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine

C25H31N5O — CID 175793393

About (2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine

(2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine (PubChem CID 175793393) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is (2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine.

Molecular Properties

• Compound Name: (2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine
• PubChem CID: 175793393
• Molecular Formula: C25H31N5O
• Molecular Weight: 417.56 g/mol
• Exact Mass: 417.25
• IUPAC Name: (2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine
• SMILES: Cc1cc(-c2[nH]c3ccc([C@@H]4CN(C)C(C)(C)CO4)cc3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C25H31N5O/c1-15(2)22-19-10-17(21-12-29(6)25(4,5)13-31-21)7-8-20(19)28-23(22)18-9-16(3)24-26-14-27-30(24)11-18/h7-11,14-15,21,28H,12-13H2,1-6H3/t21-/m0/s1
• InChIKey: WHRHTSKMHVTWSL-NRFANRHFSA-N
• XLogP: 5.09
• TPSA: 58.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.56
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine?

The IUPAC name of (2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine (CID 175793393) is (2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine.

What is the SMILES notation for (2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine?

The canonical SMILES for (2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine is Cc1cc(-c2[nH]c3ccc([C@@H]4CN(C)C(C)(C)CO4)cc3c2C(C)C)cn2ncnc12.

What is the InChIKey of (2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine?

The InChIKey is WHRHTSKMHVTWSL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31N5O/c1-15(2)22-19-10-17(21-12-29(6)25(4,5)13-31-21)7-8-20(19)28-23(22)18-9-16(3)24-26-14-27-30(24)11-18/h7-11,14-15,21,28H,12-13H2,1-6H3/t21-/m0/s1.

What are the key properties of (2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine?

(2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine has a molecular weight of 417.56 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4,5,5-trimethyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholine is sourced from PubChem (CID 175793393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).