1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-6-methyl-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;N-(2-fluoropropyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;bis(6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide)

C76H89F3N20O11 — CID 157132188

About 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-6-methyl-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;N-(2-fluoropropyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;bis(6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide)

1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-6-methyl-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;N-(2-fluoropropyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;bis(6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide) (PubChem CID 157132188) has the molecular formula C76H89F3N20O11 and a molecular weight of 1515.67 g/mol. Its IUPAC name is 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-6-methyl-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;N-(2-fluoropropyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;bis(6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide).

Molecular Properties

• Compound Name: 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-6-methyl-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;N-(2-fluoropropyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;bis(6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide)
• PubChem CID: 157132188
• Molecular Formula: C76H89F3N20O11
• Molecular Weight: 1515.67 g/mol
• Exact Mass: 1514.70
• IUPAC Name: 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-6-methyl-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;N-(2-fluoropropyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;bis(6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide)
• SMILES: CCCNC(=O)c1cn(Cc2ncnc(OC(F)F)c2C)c2cc(C)cnc12.CCCNC(=O)c1cn(Cc2ncnc(OC)c2C)c2cc(OC)cnc12.CCCNC(=O)c1cn(Cc2ncnc(OC)c2C)c2cc(OC)cnc12.COc1cnc2c(C(=O)NCC(C)F)cn(Cc3ncnc(OC)c3C)c2c1
• InChI: InChI=1S/C19H21F2N5O2.C19H22FN5O3.2C19H23N5O3/c1-4-5-22-17(27)13-8-26(15-6-11(2)7-23-16(13)15)9-14-12(3)18(25-10-24-14)28-19(20)21;1-11(20)6-22-18(26)14-8-25(16-5-13(27-3)7-21-17(14)16)9-15-12(2)19(28-4)24-10-23-15;2*1-5-6-20-18(25)14-9-24(16-7-13(26-3)8-21-17(14)16)10-15-12(2)19(27-4)23-11-22-15/h6-8,10,19H,4-5,9H2,1-3H3,(H,22,27);5,7-8,10-11H,6,9H2,1-4H3,(H,22,26);2*7-9,11H,5-6,10H2,1-4H3,(H,20,25)
• InChIKey: AJEXHDSSAXFCEM-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 355.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1515.67
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-6-methyl-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;N-(2-fluoropropyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;bis(6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide) (CID 157132188) is 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-6-methyl-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;N-(2-fluoropropyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;bis(6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide).

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

The canonical SMILES for 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-6-methyl-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;N-(2-fluoropropyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;bis(6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide) is CCCNC(=O)c1cn(Cc2ncnc(OC(F)F)c2C)c2cc(C)cnc12.CCCNC(=O)c1cn(Cc2ncnc(OC)c2C)c2cc(OC)cnc12.CCCNC(=O)c1cn(Cc2ncnc(OC)c2C)c2cc(OC)cnc12.COc1cnc2c(C(=O)NCC(C)F)cn(Cc3ncnc(OC)c3C)c2c1.

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

The InChIKey is AJEXHDSSAXFCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2.C19H22FN5O3.2C19H23N5O3/c1-4-5-22-17(27)13-8-26(15-6-11(2)7-23-16(13)15)9-14-12(3)18(25-10-24-14)28-19(20)21;1-11(20)6-22-18(26)14-8-25(16-5-13(27-3)7-21-17(14)16)9-15-12(2)19(28-4)24-10-23-15;2*1-5-6-20-18(25)14-9-24(16-7-13(26-3)8-21-17(14)16)10-15-12(2)19(27-4)23-11-22-15/h6-8,10,19H,4-5,9H2,1-3H3,(H,22,27);5,7-8,10-11H,6,9H2,1-4H3,(H,22,26);2*7-9,11H,5-6,10H2,1-4H3,(H,20,25).

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

1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-6-methyl-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;N-(2-fluoropropyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;bis(6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide) has a molecular weight of 1515.67 g/mol, XLogP of 10.20, 28 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-6-methyl-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;N-(2-fluoropropyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;bis(6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide) is sourced from PubChem (CID 157132188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).