5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

C111H123F5N22O8 — CID 167685067

IUPAC5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCC(C)(C)CNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cn1.CCC(CC)NC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cn1.CCNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cn1.Cc1ccc(-n2ccc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cn1.Cc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/2C25H30FN5O2.C21H21F2N5O2.C20H21FN4O.C20H21N3O/c1-24(2,3)16-29-22(32)20-6-5-19(15-27-20)31-10-7-17-13-18(14-28-21(17)31)23(33)30-11-8-25(4,26)9-12-30;1-4-19(5-2)29-23(32)21-7-6-20(16-27-21)31-11-8-17-14-18(15-28-22(17)31)24(33)30-12-9-25(3,26)10-13-30;1-2-24-19(29)17-4-3-16(13-25-17)28-8-5-14-11-15(12-26-18(14)28)20(30)27-9-6-21(22,23)7-10-27;1-14-3-4-17(13-22-14)25-8-5-15-11-16(12-23-18(15)25)19(26)24-9-6-20(2,21)7-10-24;1-15-5-7-18(8-6-15)23-12-9-16-13-17(14-21-19(16)23)20(24)22-10-3-2-4-11-22/h5-7,10,13-15H,8-9,11-12,16H2,1-4H3,(H,29,32);6-8,11,14-16,19H,4-5,9-10,12-13H2,1-3H3,(H,29,32);3-5,8,11-13H,2,6-7,9-10H2,1H3,(H,24,29);3-5,8,11-13H,6-7,9-10H2,1-2H3;5-9,12-14H,2-4,10-11H2,1H3
InChIKeyWCDFRRWUHWUMGJ-UHFFFAOYSA-N
MW1988.34 g/mol
LogP19.16
Rot. Bonds18

About 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 167685067) has the molecular formula C111H123F5N22O8 and a molecular weight of 1988.34 g/mol. Its IUPAC name is 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
PubChem CID167685067
Molecular FormulaC111H123F5N22O8
Molecular Weight1988.34 g/mol
Exact Mass1986.98
IUPAC Name5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCC(C)(C)CNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cn1.CCC(CC)NC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cn1.CCNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cn1.Cc1ccc(-n2ccc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cn1.Cc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/2C25H30FN5O2.C21H21F2N5O2.C20H21FN4O.C20H21N3O/c1-24(2,3)16-29-22(32)20-6-5-19(15-27-20)31-10-7-17-13-18(14-28-21(17)31)23(33)30-11-8-25(4,26)9-12-30;1-4-19(5-2)29-23(32)21-7-6-20(16-27-21)31-11-8-17-14-18(15-28-22(17)31)24(33)30-12-9-25(3,26)10-13-30;1-2-24-19(29)17-4-3-16(13-25-17)28-8-5-14-11-15(12-26-18(14)28)20(30)27-9-6-21(22,23)7-10-27;1-14-3-4-17(13-22-14)25-8-5-15-11-16(12-23-18(15)25)19(26)24-9-6-20(2,21)7-10-24;1-15-5-7-18(8-6-15)23-12-9-16-13-17(14-21-19(16)23)20(24)22-10-3-2-4-11-22/h5-7,10,13-15H,8-9,11-12,16H2,1-4H3,(H,29,32);6-8,11,14-16,19H,4-5,9-10,12-13H2,1-3H3,(H,29,32);3-5,8,11-13H,2,6-7,9-10H2,1H3,(H,24,29);3-5,8,11-13H,6-7,9-10H2,1-2H3;5-9,12-14H,2-4,10-11H2,1H3
InChIKeyWCDFRRWUHWUMGJ-UHFFFAOYSA-N
XLogP19.16
TPSA329.51 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001988.34
LogP ≤ 519.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 167685067) is 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is CC(C)(C)CNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cn1.CCC(CC)NC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cn1.CCNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cn1.Cc1ccc(-n2ccc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cn1.Cc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.
What is the InChIKey of 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is WCDFRRWUHWUMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H30FN5O2.C21H21F2N5O2.C20H21FN4O.C20H21N3O/c1-24(2,3)16-29-22(32)20-6-5-19(15-27-20)31-10-7-17-13-18(14-28-21(17)31)23(33)30-11-8-25(4,26)9-12-30;1-4-19(5-2)29-23(32)21-7-6-20(16-27-21)31-11-8-17-14-18(15-28-22(17)31)24(33)30-12-9-25(3,26)10-13-30;1-2-24-19(29)17-4-3-16(13-25-17)28-8-5-14-11-15(12-26-18(14)28)20(30)27-9-6-21(22,23)7-10-27;1-14-3-4-17(13-22-14)25-8-5-15-11-16(12-23-18(15)25)19(26)24-9-6-20(2,21)7-10-24;1-15-5-7-18(8-6-15)23-12-9-16-13-17(14-21-19(16)23)20(24)22-10-3-2-4-11-22/h5-7,10,13-15H,8-9,11-12,16H2,1-4H3,(H,29,32);6-8,11,14-16,19H,4-5,9-10,12-13H2,1-3H3,(H,29,32);3-5,8,11-13H,2,6-7,9-10H2,1H3,(H,24,29);3-5,8,11-13H,6-7,9-10H2,1-2H3;5-9,12-14H,2-4,10-11H2,1H3.
What are the key properties of 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 1988.34 g/mol, XLogP of 19.16, 18 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylpyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide;5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylpyridine-2-carboxamide;(4-fluoro-4-methylpiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 167685067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).