N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide

C23H24F2N6O3 — CID 176661320

About N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide

N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide (PubChem CID 176661320) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide.

Molecular Properties

• Compound Name: N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide
• PubChem CID: 176661320
• Molecular Formula: C23H24F2N6O3
• Molecular Weight: 470.48 g/mol
• Exact Mass: 470.19
• IUPAC Name: N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide
• SMILES: Cc1ccc(-n2ccc3cc(CCC(F)(F)CCNC=O)cnc32)cn1.O=CNc1ccno1
• InChI: InChI=1S/C19H20F2N4O.C4H4N2O2/c1-14-2-3-17(12-23-14)25-9-5-16-10-15(11-24-18(16)25)4-6-19(20,21)7-8-22-13-26;7-3-5-4-1-2-6-8-4/h2-3,5,9-13H,4,6-8H2,1H3,(H,22,26);1-3H,(H,5,7)
• InChIKey: OVLQSGXDRXEVIC-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 114.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.48
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide?

The IUPAC name of N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide (CID 176661320) is N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide.

What is the SMILES notation for N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide?

The canonical SMILES for N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide is Cc1ccc(-n2ccc3cc(CCC(F)(F)CCNC=O)cnc32)cn1.O=CNc1ccno1.

What is the InChIKey of N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide?

The InChIKey is OVLQSGXDRXEVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O.C4H4N2O2/c1-14-2-3-17(12-23-14)25-9-5-16-10-15(11-24-18(16)25)4-6-19(20,21)7-8-22-13-26;7-3-5-4-1-2-6-8-4/h2-3,5,9-13H,4,6-8H2,1H3,(H,22,26);1-3H,(H,5,7).

What are the key properties of N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide?

N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide has a molecular weight of 470.48 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,3-difluoro-5-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide;N-(1,2-oxazol-5-yl)formamide is sourced from PubChem (CID 176661320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).