1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine

C29H26FN7 — CID 156725514

About 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine

1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine (PubChem CID 156725514) has the molecular formula C29H26FN7 and a molecular weight of 491.57 g/mol. Its IUPAC name is 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine
• PubChem CID: 156725514
• Molecular Formula: C29H26FN7
• Molecular Weight: 491.57 g/mol
• Exact Mass: 491.22
• IUPAC Name: 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine
• SMILES: Cc1cccc(-c2[nH]c(CNCc3ccccc3C3=CC=C(F)CC3)nc2-c2ccc3ncnn3c2)n1
• InChI: InChI=1S/C29H26FN7/c1-19-5-4-8-25(34-19)29-28(22-11-14-27-32-18-33-37(27)17-22)35-26(36-29)16-31-15-21-6-2-3-7-24(21)20-9-12-23(30)13-10-20/h2-9,11-12,14,17-18,31H,10,13,15-16H2,1H3,(H,35,36)
• InChIKey: CIFWTJSKLOIAJW-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.57
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine?

The IUPAC name of 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine (CID 156725514) is 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine.

What is the SMILES notation for 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine?

The canonical SMILES for 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine is Cc1cccc(-c2[nH]c(CNCc3ccccc3C3=CC=C(F)CC3)nc2-c2ccc3ncnn3c2)n1.

What is the InChIKey of 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine?

The InChIKey is CIFWTJSKLOIAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN7/c1-19-5-4-8-25(34-19)29-28(22-11-14-27-32-18-33-37(27)17-22)35-26(36-29)16-31-15-21-6-2-3-7-24(21)20-9-12-23(30)13-10-20/h2-9,11-12,14,17-18,31H,10,13,15-16H2,1H3,(H,35,36).

What are the key properties of 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine?

1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine has a molecular weight of 491.57 g/mol, XLogP of 5.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine is sourced from PubChem (CID 156725514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).