N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane

C98H79F6N15O15S2 — CID 157269161

About N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane

N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane (PubChem CID 157269161) has the molecular formula C98H79F6N15O15S2 and a molecular weight of 1884.92 g/mol. Its IUPAC name is N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane.

Molecular Properties

• Compound Name: N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane
• PubChem CID: 157269161
• Molecular Formula: C98H79F6N15O15S2
• Molecular Weight: 1884.92 g/mol
• Exact Mass: 1883.52
• IUPAC Name: N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane
• SMILES: C1CCOC1.COC(=O)c1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1.O=C(NCc1cc(-c2c[nH]c3ncccc23)cc(CO)n1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(NCc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cc(CO)n1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
• InChI: InChI=1S/C34H25F2N5O6S.C33H25F2N5O5S.C27H21F2N5O3.C4H8O/c1-47-34(44)30-17-22(27-20-41(31-25(27)9-5-13-37-31)48(45,46)24-7-3-2-4-8-24)16-23(39-30)18-38-32(42)26-10-6-14-40(33(26)43)19-21-11-12-28(35)29(36)15-21;34-29-11-10-21(14-30(29)35)18-39-13-5-9-27(33(39)43)32(42)37-17-23-15-22(16-24(20-41)38-23)28-19-40(31-26(28)8-4-12-36-31)46(44,45)25-6-2-1-3-7-25;28-23-6-5-16(9-24(23)29)14-34-8-2-4-21(27(34)37)26(36)32-12-18-10-17(11-19(15-35)33-18)22-13-31-25-20(22)3-1-7-30-25;1-2-4-5-3-1/h2-17,20H,18-19H2,1H3,(H,38,42);1-16,19,41H,17-18,20H2,(H,37,42);1-11,13,35H,12,14-15H2,(H,30,31)(H,32,36);1-4H2
• InChIKey: AYIJBZCWKWCHDP-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 400.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1884.92
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane?

The IUPAC name of N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane (CID 157269161) is N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane.

What is the SMILES notation for N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane?

The canonical SMILES for N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane is C1CCOC1.COC(=O)c1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1.O=C(NCc1cc(-c2c[nH]c3ncccc23)cc(CO)n1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(NCc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cc(CO)n1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.

What is the InChIKey of N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane?

The InChIKey is AYIJBZCWKWCHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F2N5O6S.C33H25F2N5O5S.C27H21F2N5O3.C4H8O/c1-47-34(44)30-17-22(27-20-41(31-25(27)9-5-13-37-31)48(45,46)24-7-3-2-4-8-24)16-23(39-30)18-38-32(42)26-10-6-14-40(33(26)43)19-21-11-12-28(35)29(36)15-21;34-29-11-10-21(14-30(29)35)18-39-13-5-9-27(33(39)43)32(42)37-17-23-15-22(16-24(20-41)38-23)28-19-40(31-26(28)8-4-12-36-31)46(44,45)25-6-2-1-3-7-25;28-23-6-5-16(9-24(23)29)14-34-8-2-4-21(27(34)37)26(36)32-12-18-10-17(11-19(15-35)33-18)22-13-31-25-20(22)3-1-7-30-25;1-2-4-5-3-1/h2-17,20H,18-19H2,1H3,(H,38,42);1-16,19,41H,17-18,20H2,(H,37,42);1-11,13,35H,12,14-15H2,(H,30,31)(H,32,36);1-4H2.

What are the key properties of N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane?

N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane has a molecular weight of 1884.92 g/mol, XLogP of 13.12, 25 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-(hydroxymethyl)-2-pyridinyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-N-[[6-(hydroxymethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]-2-oxopyridine-3-carboxamide;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;oxolane is sourced from PubChem (CID 157269161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).