2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide

C26H22FN5O3 — CID 118341228

About 2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide

2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide (PubChem CID 118341228) has the molecular formula C26H22FN5O3 and a molecular weight of 471.49 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
• PubChem CID: 118341228
• Molecular Formula: C26H22FN5O3
• Molecular Weight: 471.49 g/mol
• Exact Mass: 471.17
• IUPAC Name: 2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
• SMILES: CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cncc(F)c21
• InChI: InChI=1S/C26H22FN5O3/c1-26(2,15-33)32-14-21(20-12-30-13-22(27)24(20)32)25(35)18-8-19(11-29-10-18)31-23(34)7-16-3-5-17(9-28)6-4-16/h3-6,8,10-14,33H,7,15H2,1-2H3,(H,31,34)
• InChIKey: SKIOLAPWFHWWMV-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 120.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.49
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?

The IUPAC name of 2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide (CID 118341228) is 2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide is CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cncc(F)c21.

What is the InChIKey of 2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?

The InChIKey is SKIOLAPWFHWWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3/c1-26(2,15-33)32-14-21(20-12-30-13-22(27)24(20)32)25(35)18-8-19(11-29-10-18)31-23(34)7-16-3-5-17(9-28)6-4-16/h3-6,8,10-14,33H,7,15H2,1-2H3,(H,31,34).

What are the key properties of 2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?

2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide has a molecular weight of 471.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 118341228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).