6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

C17H17F2N5O2 — CID 90466851

About 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 90466851) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
• PubChem CID: 90466851
• Molecular Formula: C17H17F2N5O2
• Molecular Weight: 361.35 g/mol
• Exact Mass: 361.14
• IUPAC Name: 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
• SMILES: COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(F)cc32)c1C
• InChI: InChI=1S/C17H17F2N5O2/c1-10-13(22-9-23-17(10)26-2)8-24-7-12(16(25)20-4-3-18)15-14(24)5-11(19)6-21-15/h5-7,9H,3-4,8H2,1-2H3,(H,20,25)
• InChIKey: USIZVOMTFILKKX-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.35
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?

The IUPAC name of 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 90466851) is 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

What is the SMILES notation for 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?

The canonical SMILES for 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(F)cc32)c1C.

What is the InChIKey of 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?

The InChIKey is USIZVOMTFILKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c1-10-13(22-9-23-17(10)26-2)8-24-7-12(16(25)20-4-3-18)15-14(24)5-11(19)6-21-15/h5-7,9H,3-4,8H2,1-2H3,(H,20,25).

What are the key properties of 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?

6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 90466851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).