1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide

C33H31F2N5O4 — CID 59362465

About 1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 59362465) has the molecular formula C33H31F2N5O4 and a molecular weight of 599.64 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 59362465
• Molecular Formula: C33H31F2N5O4
• Molecular Weight: 599.64 g/mol
• Exact Mass: 599.23
• IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
• SMILES: O=C(NCc1cc(OCCN2CCOCC2)cc(-c2c[nH]c3ncccc23)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
• InChI: InChI=1S/C33H31F2N5O4/c34-29-6-5-22(17-30(29)35)21-40-8-2-4-27(33(40)42)32(41)38-19-23-15-24(28-20-37-31-26(28)3-1-7-36-31)18-25(16-23)44-14-11-39-9-12-43-13-10-39/h1-8,15-18,20H,9-14,19,21H2,(H,36,37)(H,38,41)
• InChIKey: MQFGHHCRYWNSKJ-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 101.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.64
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide (CID 59362465) is 1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide is O=C(NCc1cc(OCCN2CCOCC2)cc(-c2c[nH]c3ncccc23)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.

What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?

The InChIKey is MQFGHHCRYWNSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2N5O4/c34-29-6-5-22(17-30(29)35)21-40-8-2-4-27(33(40)42)32(41)38-19-23-15-24(28-20-37-31-26(28)3-1-7-36-31)18-25(16-23)44-14-11-39-9-12-43-13-10-39/h1-8,15-18,20H,9-14,19,21H2,(H,36,37)(H,38,41).

What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?

1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 599.64 g/mol, XLogP of 4.36, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,4-difluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59362465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).