6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide

C21H17F2N5O2 — CID 90815443

About 6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide

6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 90815443) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide
• PubChem CID: 90815443
• Molecular Formula: C21H17F2N5O2
• Molecular Weight: 409.40 g/mol
• Exact Mass: 409.14
• IUPAC Name: 6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide
• SMILES: Cn1c(=O)c(Cc2ccc(F)c(F)c2)cc2[nH]c(C(=O)NCc3cccnc3)nc21
• InChI: InChI=1S/C21H17F2N5O2/c1-28-19-17(9-14(21(28)30)7-12-4-5-15(22)16(23)8-12)26-18(27-19)20(29)25-11-13-3-2-6-24-10-13/h2-6,8-10H,7,11H2,1H3,(H,25,29)(H,26,27)
• InChIKey: DMPWUKDRMQUSOG-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.40
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide?

The IUPAC name of 6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide (CID 90815443) is 6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide.

What is the SMILES notation for 6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide?

The canonical SMILES for 6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide is Cn1c(=O)c(Cc2ccc(F)c(F)c2)cc2[nH]c(C(=O)NCc3cccnc3)nc21.

What is the InChIKey of 6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide?

The InChIKey is DMPWUKDRMQUSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-28-19-17(9-14(21(28)30)7-12-4-5-15(22)16(23)8-12)26-18(27-19)20(29)25-11-13-3-2-6-24-10-13/h2-6,8-10H,7,11H2,1H3,(H,25,29)(H,26,27).

What are the key properties of 6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide?

6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 409.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 90815443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).