N-methyl-3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanamide

C28H35N5O — CID 159935197

About N-methyl-3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanamide

N-methyl-3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanamide (PubChem CID 159935197) has the molecular formula C28H35N5O and a molecular weight of 457.62 g/mol. Its IUPAC name is N-methyl-3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanamide.

Molecular Properties

• Compound Name: N-methyl-3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanamide
• PubChem CID: 159935197
• Molecular Formula: C28H35N5O
• Molecular Weight: 457.62 g/mol
• Exact Mass: 457.28
• IUPAC Name: N-methyl-3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanamide
• SMILES: CNC(=O)CCC1CCC(c2ccc3[nH]c(-c4cc(C)c5ncnn5c4)c(C(C)C)c3c2)CC1
• InChI: InChI=1S/C28H35N5O/c1-17(2)26-23-14-21(20-8-5-19(6-9-20)7-12-25(34)29-4)10-11-24(23)32-27(26)22-13-18(3)28-30-16-31-33(28)15-22/h10-11,13-17,19-20,32H,5-9,12H2,1-4H3,(H,29,34)
• InChIKey: OADSXOIZWWPWFK-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 75.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.62
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-methyl-3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanamide (CID 159935197) is N-methyl-3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanamide.

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

The canonical SMILES for N-methyl-3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanamide is CNC(=O)CCC1CCC(c2ccc3[nH]c(-c4cc(C)c5ncnn5c4)c(C(C)C)c3c2)CC1.

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

The InChIKey is OADSXOIZWWPWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O/c1-17(2)26-23-14-21(20-8-5-19(6-9-20)7-12-25(34)29-4)10-11-24(23)32-27(26)22-13-18(3)28-30-16-31-33(28)15-22/h10-11,13-17,19-20,32H,5-9,12H2,1-4H3,(H,29,34).

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

N-methyl-3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanamide has a molecular weight of 457.62 g/mol, XLogP of 6.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanamide is sourced from PubChem (CID 159935197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).