1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C17H14F3N7O — CID 143707202

About 1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 143707202) has the molecular formula C17H14F3N7O and a molecular weight of 389.34 g/mol. Its IUPAC name is 1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

• Compound Name: 1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
• PubChem CID: 143707202
• Molecular Formula: C17H14F3N7O
• Molecular Weight: 389.34 g/mol
• Exact Mass: 389.12
• IUPAC Name: 1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
• SMILES: [H]/N=C(\N=N\[H])c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
• InChI: InChI=1S/C17H14F3N7O/c18-17(19,20)9-24-16(28)25-12-3-1-2-10(6-12)13-8-23-14-7-11(15(21)26-22)4-5-27(13)14/h1-8,21-22H,9H2,(H2,24,25,28)/b21-15-,26-22+
• InChIKey: CPIDMCZTMKRBMY-ZRTJXFFSSA-N
• XLogP: 4.04
• TPSA: 118.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.34
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

The IUPAC name of 1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 143707202) is 1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

What is the SMILES notation for 1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

The canonical SMILES for 1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is [H]/N=C(\N=N\[H])c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.

What is the InChIKey of 1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

The InChIKey is CPIDMCZTMKRBMY-ZRTJXFFSSA-N. The full InChI is InChI=1S/C17H14F3N7O/c18-17(19,20)9-24-16(28)25-12-3-1-2-10(6-12)13-8-23-14-7-11(15(21)26-22)4-5-27(13)14/h1-8,21-22H,9H2,(H2,24,25,28)/b21-15-,26-22+.

What are the key properties of 1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 389.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 143707202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).