3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

C59H47F4N9O7 — CID 158723436

About 3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 158723436) has the molecular formula C59H47F4N9O7 and a molecular weight of 1070.07 g/mol. Its IUPAC name is 3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
• PubChem CID: 158723436
• Molecular Formula: C59H47F4N9O7
• Molecular Weight: 1070.07 g/mol
• Exact Mass: 1069.35
• IUPAC Name: 3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
• SMILES: CCCNC(=O)c1cnc2[nH]cc(-c3cccc(CNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)c3)c2c1.O=C(O)c1cnc2[nH]cc(-c3cccc(CNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)c3)c2c1
• InChI: InChI=1S/C31H27F2N5O3.C28H20F2N4O4/c1-2-10-34-29(39)22-14-24-25(17-36-28(24)35-16-22)21-6-3-5-19(12-21)15-37-30(40)23-7-4-11-38(31(23)41)18-20-8-9-26(32)27(33)13-20;29-23-7-6-17(10-24(23)30)15-34-8-2-5-20(27(34)36)26(35)33-12-16-3-1-4-18(9-16)22-14-32-25-21(22)11-19(13-31-25)28(37)38/h3-9,11-14,16-17H,2,10,15,18H2,1H3,(H,34,39)(H,35,36)(H,37,40);1-11,13-14H,12,15H2,(H,31,32)(H,33,35)(H,37,38)
• InChIKey: IKEWLNIZWKIGDC-UHFFFAOYSA-N
• XLogP: 9.13
• TPSA: 225.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1070.07
LogP ≤ 5	9.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The IUPAC name of 3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 158723436) is 3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.

What is the SMILES notation for 3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The canonical SMILES for 3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is CCCNC(=O)c1cnc2[nH]cc(-c3cccc(CNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)c3)c2c1.O=C(O)c1cnc2[nH]cc(-c3cccc(CNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)c3)c2c1.

What is the InChIKey of 3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The InChIKey is IKEWLNIZWKIGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F2N5O3.C28H20F2N4O4/c1-2-10-34-29(39)22-14-24-25(17-36-28(24)35-16-22)21-6-3-5-19(12-21)15-37-30(40)23-7-4-11-38(31(23)41)18-20-8-9-26(32)27(33)13-20;29-23-7-6-17(10-24(23)30)15-34-8-2-5-20(27(34)36)26(35)33-12-16-3-1-4-18(9-16)22-14-32-25-21(22)11-19(13-31-25)28(37)38/h3-9,11-14,16-17H,2,10,15,18H2,1H3,(H,34,39)(H,35,36)(H,37,40);1-11,13-14H,12,15H2,(H,31,32)(H,33,35)(H,37,38).

What are the key properties of 3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 1070.07 g/mol, XLogP of 9.13, 16 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 158723436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).