4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane

C29H42N6 — CID 167674928

About 4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane

4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane (PubChem CID 167674928) has the molecular formula C29H42N6 and a molecular weight of 474.70 g/mol. Its IUPAC name is 4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane.

Molecular Properties

• Compound Name: 4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane
• PubChem CID: 167674928
• Molecular Formula: C29H42N6
• Molecular Weight: 474.70 g/mol
• Exact Mass: 474.35
• IUPAC Name: 4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane
• SMILES: CC.Cc1c(-c2[nH]c3cnc(C4CCC(N(C)C)CC4)c(C)c3c2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/C27H36N6.C2H6/c1-15(2)23-24-18(5)25(19-8-10-20(11-9-19)32(6)7)28-12-22(24)31-26(23)21-13-33-27(29-14-30-33)17(4)16(21)3;1-2/h12-15,19-20,31H,8-11H2,1-7H3;1-2H3
• InChIKey: URBDZPMEIKEABG-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.70
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane?

The IUPAC name of 4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane (CID 167674928) is 4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane.

What is the SMILES notation for 4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane?

The canonical SMILES for 4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane is CC.Cc1c(-c2[nH]c3cnc(C4CCC(N(C)C)CC4)c(C)c3c2C(C)C)cn2ncnc2c1C.

What is the InChIKey of 4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane?

The InChIKey is URBDZPMEIKEABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6.C2H6/c1-15(2)23-24-18(5)25(19-8-10-20(11-9-19)32(6)7)28-12-22(24)31-26(23)21-13-33-27(29-14-30-33)17(4)16(21)3;1-2/h12-15,19-20,31H,8-11H2,1-7H3;1-2H3.

What are the key properties of 4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane?

4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane has a molecular weight of 474.70 g/mol, XLogP of 6.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane is sourced from PubChem (CID 167674928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).