(2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate

C67H66F6N8O11 — CID 158368183

About (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate

(2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 158368183) has the molecular formula C67H66F6N8O11 and a molecular weight of 1273.30 g/mol. Its IUPAC name is (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate
• PubChem CID: 158368183
• Molecular Formula: C67H66F6N8O11
• Molecular Weight: 1273.30 g/mol
• Exact Mass: 1272.48
• IUPAC Name: (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate
• SMILES: COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4c(n3)CC(=O)N4)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)O)CCC(F)(F)CC2)cc1.O=C1Cc2nc(NC(=O)[C@H]3C[C@@H](F)CN3C(=O)OCC3c4ccccc4-c4ccccc43)ccc2N1
• InChI: InChI=1S/C27H23FN4O4.C26H27F3N4O4.C14H16F2O3/c28-15-11-23(26(34)31-24-10-9-21-22(29-24)12-25(33)30-21)32(13-15)27(35)36-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;1-37-17-4-2-15(3-5-17)25(8-10-26(28,29)11-9-25)24(36)33-14-16(27)12-20(33)23(35)32-21-7-6-18-19(30-21)13-22(34)31-18;1-19-11-4-2-10(3-5-11)13(12(17)18)6-8-14(15,16)9-7-13/h1-10,15,20,23H,11-14H2,(H,30,33)(H,29,31,34);2-7,16,20H,8-14H2,1H3,(H,31,34)(H,30,32,35);2-5H,6-9H2,1H3,(H,17,18)/t15-,23-;16-,20-;/m11./s1
• InChIKey: GUHASLNMFOOYAQ-YQAGDCHMSA-N
• XLogP: 10.71
• TPSA: 247.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1273.30
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate?

The IUPAC name of (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate (CID 158368183) is (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate.

What is the SMILES notation for (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate?

The canonical SMILES for (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate is COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4c(n3)CC(=O)N4)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)O)CCC(F)(F)CC2)cc1.O=C1Cc2nc(NC(=O)[C@H]3C[C@@H](F)CN3C(=O)OCC3c4ccccc4-c4ccccc43)ccc2N1.

What is the InChIKey of (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate?

The InChIKey is GUHASLNMFOOYAQ-YQAGDCHMSA-N. The full InChI is InChI=1S/C27H23FN4O4.C26H27F3N4O4.C14H16F2O3/c28-15-11-23(26(34)31-24-10-9-21-22(29-24)12-25(33)30-21)32(13-15)27(35)36-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;1-37-17-4-2-15(3-5-17)25(8-10-26(28,29)11-9-25)24(36)33-14-16(27)12-20(33)23(35)32-21-7-6-18-19(30-21)13-22(34)31-18;1-19-11-4-2-10(3-5-11)13(12(17)18)6-8-14(15,16)9-7-13/h1-10,15,20,23H,11-14H2,(H,30,33)(H,29,31,34);2-7,16,20H,8-14H2,1H3,(H,31,34)(H,30,32,35);2-5H,6-9H2,1H3,(H,17,18)/t15-,23-;16-,20-;/m11./s1.

What are the key properties of (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate?

(2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 1273.30 g/mol, XLogP of 10.71, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 158368183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).