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

C18H20FN5O3 — CID 90467157

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

N-(2-fluoroethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 90467157) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(2-fluoroethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-fluoroethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
• PubChem CID: 90467157
• Molecular Formula: C18H20FN5O3
• Molecular Weight: 373.39 g/mol
• Exact Mass: 373.16
• IUPAC Name: N-(2-fluoroethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
• SMILES: COc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(OC)c3C)c2c1
• InChI: InChI=1S/C18H20FN5O3/c1-11-14(22-10-23-18(11)27-3)9-24-8-13(17(25)20-5-4-19)16-15(24)6-12(26-2)7-21-16/h6-8,10H,4-5,9H2,1-3H3,(H,20,25)
• InChIKey: GQJKTBMYBGYZKO-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.39
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2-fluoroethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 90467157) is N-(2-fluoroethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

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

The canonical SMILES for N-(2-fluoroethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is COc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(OC)c3C)c2c1.

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

The InChIKey is GQJKTBMYBGYZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-11-14(22-10-23-18(11)27-3)9-24-8-13(17(25)20-5-4-19)16-15(24)6-12(26-2)7-21-16/h6-8,10H,4-5,9H2,1-3H3,(H,20,25).

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

N-(2-fluoroethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoroethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 90467157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).