3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one

C21H19ClFN5O — CID 146299086

About 3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one

3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 146299086) has the molecular formula C21H19ClFN5O and a molecular weight of 411.87 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one
• PubChem CID: 146299086
• Molecular Formula: C21H19ClFN5O
• Molecular Weight: 411.87 g/mol
• Exact Mass: 411.13
• IUPAC Name: 3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one
• SMILES: Cc1nc2nccc(Nc3cc(-c4cc(Cl)ccc4F)c(=O)[nH]c3C(C)C)c2[nH]1
• InChI: InChI=1S/C21H19ClFN5O/c1-10(2)18-17(27-16-6-7-24-20-19(16)25-11(3)26-20)9-14(21(29)28-18)13-8-12(22)4-5-15(13)23/h4-10H,1-3H3,(H,28,29)(H2,24,25,26,27)
• InChIKey: YLXCEKXJPXREPX-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.87
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one?

The IUPAC name of 3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one (CID 146299086) is 3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one.

What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one?

The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one is Cc1nc2nccc(Nc3cc(-c4cc(Cl)ccc4F)c(=O)[nH]c3C(C)C)c2[nH]1.

What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one?

The InChIKey is YLXCEKXJPXREPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5O/c1-10(2)18-17(27-16-6-7-24-20-19(16)25-11(3)26-20)9-14(21(29)28-18)13-8-12(22)4-5-15(13)23/h4-10H,1-3H3,(H,28,29)(H2,24,25,26,27).

What are the key properties of 3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one?

3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 411.87 g/mol, XLogP of 5.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 146299086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).