[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone

C19H19FN4O2 — CID 162749159

About [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone

[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone (PubChem CID 162749159) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone
• PubChem CID: 162749159
• Molecular Formula: C19H19FN4O2
• Molecular Weight: 354.39 g/mol
• Exact Mass: 354.15
• IUPAC Name: [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone
• SMILES: COc1ccc(C(=O)N2CCC(c3c(F)cnc4[nH]ccc34)CC2)nc1
• InChI: InChI=1S/C19H19FN4O2/c1-26-13-2-3-16(22-10-13)19(25)24-8-5-12(6-9-24)17-14-4-7-21-18(14)23-11-15(17)20/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,21,23)
• InChIKey: FCALITWWDRFHGG-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.39
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone?

The IUPAC name of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone (CID 162749159) is [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone.

What is the SMILES notation for [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone?

The canonical SMILES for [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone is COc1ccc(C(=O)N2CCC(c3c(F)cnc4[nH]ccc34)CC2)nc1.

What is the InChIKey of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone?

The InChIKey is FCALITWWDRFHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-26-13-2-3-16(22-10-13)19(25)24-8-5-12(6-9-24)17-14-4-7-21-18(14)23-11-15(17)20/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,21,23).

What are the key properties of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone?

[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone has a molecular weight of 354.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 162749159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).