1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide

C106H98F8N18O9S — CID 158085484

About 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide

1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 158085484) has the molecular formula C106H98F8N18O9S and a molecular weight of 1952.12 g/mol. Its IUPAC name is 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide
• PubChem CID: 158085484
• Molecular Formula: C106H98F8N18O9S
• Molecular Weight: 1952.12 g/mol
• Exact Mass: 1950.74
• IUPAC Name: 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide
• SMILES: CC(C)COc1ccc2c(n1)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2[nH]c(=O)c(Oc3nccs3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2[nH]c(=O)ccc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnc(-c3nnco3)cc2n1Cc1ccccc1
• InChI: InChI=1S/C28H30F2N4O2.C27H23F2N5O3S.C27H23F2N5O2.C24H22F2N4O2/c1-17(2)16-36-24-11-10-23-26(33-24)25(28(35)32-14-19-8-9-21(29)22(30)13-19)27(18(3)4)34(23)15-20-7-5-6-12-31-20;1-15(2)24-22(26(36)32-13-16-6-7-18(28)19(29)11-16)23-20(34(24)14-17-5-3-4-8-30-17)12-21(25(35)33-23)37-27-31-9-10-38-27;1-16(2)25-24(26(35)31-12-18-8-9-20(28)21(29)10-18)19-13-30-22(27-33-32-15-36-27)11-23(19)34(25)14-17-6-4-3-5-7-17;1-14(2)23-21(24(32)28-12-15-6-7-17(25)18(26)11-15)22-19(8-9-20(31)29-22)30(23)13-16-5-3-4-10-27-16/h5-13,17-18H,14-16H2,1-4H3,(H,32,35);3-12,15H,13-14H2,1-2H3,(H,32,36)(H,33,35);3-11,13,15-16H,12,14H2,1-2H3,(H,31,35);3-11,14H,12-13H2,1-2H3,(H,28,32)(H,29,31)
• InChIKey: FNLPQISLSXDCOA-UHFFFAOYSA-N
• XLogP: 20.77
• TPSA: 336.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1952.12
LogP ≤ 5	20.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide?

The IUPAC name of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 158085484) is 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide.

What is the SMILES notation for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide?

The canonical SMILES for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide is CC(C)COc1ccc2c(n1)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2[nH]c(=O)c(Oc3nccs3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2[nH]c(=O)ccc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnc(-c3nnco3)cc2n1Cc1ccccc1.

What is the InChIKey of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide?

The InChIKey is FNLPQISLSXDCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O2.C27H23F2N5O3S.C27H23F2N5O2.C24H22F2N4O2/c1-17(2)16-36-24-11-10-23-26(33-24)25(28(35)32-14-19-8-9-21(29)22(30)13-19)27(18(3)4)34(23)15-20-7-5-6-12-31-20;1-15(2)24-22(26(36)32-13-16-6-7-18(28)19(29)11-16)23-20(34(24)14-17-5-3-4-8-30-17)12-21(25(35)33-23)37-27-31-9-10-38-27;1-16(2)25-24(26(35)31-12-18-8-9-20(28)21(29)10-18)19-13-30-22(27-33-32-15-36-27)11-23(19)34(25)14-17-6-4-3-5-7-17;1-14(2)23-21(24(32)28-12-15-6-7-17(25)18(26)11-15)22-19(8-9-20(31)29-22)30(23)13-16-5-3-4-10-27-16/h5-13,17-18H,14-16H2,1-4H3,(H,32,35);3-12,15H,13-14H2,1-2H3,(H,32,36)(H,33,35);3-11,13,15-16H,12,14H2,1-2H3,(H,31,35);3-11,14H,12-13H2,1-2H3,(H,28,32)(H,29,31).

What are the key properties of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide?

1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 1952.12 g/mol, XLogP of 20.77, 30 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 158085484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).