5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone

C110H110ClF5N26O10 — CID 167540960

About 5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone

5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 167540960) has the molecular formula C110H110ClF5N26O10 and a molecular weight of 2086.70 g/mol. Its IUPAC name is 5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: 5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone
• PubChem CID: 167540960
• Molecular Formula: C110H110ClF5N26O10
• Molecular Weight: 2086.70 g/mol
• Exact Mass: 2084.85
• IUPAC Name: 5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone
• SMILES: CC1(F)CCN(C(=O)c2cnc3c(c2)c(Cl)cn3-c2cncc(C(N)=O)c2)CC1.CCNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)nc1.CCc1nnn(-c2ccc(-n3ccc4cc(C(=O)N5CCC(C)(F)CC5)cnc43)cn2)n1.O=C(O)[C@@H]1CCCN1C(=O)c1cccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)c1.[C-]#[N+]c1ccc(-n2ccc3cc(C(=O)N4CCC(C)CC4)ncc32)cc1
• InChI: InChI=1S/C25H24F2N4O4.C22H23FN8O.C22H24FN5O2.C21H20N4O.C20H19ClFN5O2/c26-25(27)7-11-29(12-8-25)22(32)18-13-16-6-10-30(21(16)28-15-18)19-4-1-3-17(14-19)23(33)31-9-2-5-20(31)24(34)35;1-3-18-26-28-31(27-18)19-5-4-17(14-24-19)30-9-6-15-12-16(13-25-20(15)30)21(32)29-10-7-22(2,23)8-11-29;1-3-24-20(29)16-4-5-18(25-13-16)28-9-6-15-12-17(14-26-19(15)28)21(30)27-10-7-22(2,23)8-11-27;1-15-7-10-24(11-8-15)21(26)19-13-16-9-12-25(20(16)14-23-19)18-5-3-17(22-2)4-6-18;1-20(22)2-4-26(5-3-20)19(29)13-7-15-16(21)11-27(18(15)25-9-13)14-6-12(17(23)28)8-24-10-14/h1,3-4,6,10,13-15,20H,2,5,7-9,11-12H2,(H,34,35);4-6,9,12-14H,3,7-8,10-11H2,1-2H3;4-6,9,12-14H,3,7-8,10-11H2,1-2H3,(H,24,29);3-6,9,12-15H,7-8,10-11H2,1H3;6-11H,2-5H2,1H3,(H2,23,28)/t20-;;;;/m0..../s1
• InChIKey: BELGXQCNAYQERJ-YAVGSXOASA-N
• XLogP: 17.23
• TPSA: 407.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.70
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone?

The IUPAC name of 5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone (CID 167540960) is 5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone.

What is the SMILES notation for 5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone?

The canonical SMILES for 5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone is CC1(F)CCN(C(=O)c2cnc3c(c2)c(Cl)cn3-c2cncc(C(N)=O)c2)CC1.CCNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)nc1.CCc1nnn(-c2ccc(-n3ccc4cc(C(=O)N5CCC(C)(F)CC5)cnc43)cn2)n1.O=C(O)[C@@H]1CCCN1C(=O)c1cccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)c1.[C-]#[N+]c1ccc(-n2ccc3cc(C(=O)N4CCC(C)CC4)ncc32)cc1.

What is the InChIKey of 5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone?

The InChIKey is BELGXQCNAYQERJ-YAVGSXOASA-N. The full InChI is InChI=1S/C25H24F2N4O4.C22H23FN8O.C22H24FN5O2.C21H20N4O.C20H19ClFN5O2/c26-25(27)7-11-29(12-8-25)22(32)18-13-16-6-10-30(21(16)28-15-18)19-4-1-3-17(14-19)23(33)31-9-2-5-20(31)24(34)35;1-3-18-26-28-31(27-18)19-5-4-17(14-24-19)30-9-6-15-12-16(13-25-20(15)30)21(32)29-10-7-22(2,23)8-11-29;1-3-24-20(29)16-4-5-18(25-13-16)28-9-6-15-12-17(14-26-19(15)28)21(30)27-10-7-22(2,23)8-11-27;1-15-7-10-24(11-8-15)21(26)19-13-16-9-12-25(20(16)14-23-19)18-5-3-17(22-2)4-6-18;1-20(22)2-4-26(5-3-20)19(29)13-7-15-16(21)11-27(18(15)25-9-13)14-6-12(17(23)28)8-24-10-14/h1,3-4,6,10,13-15,20H,2,5,7-9,11-12H2,(H,34,35);4-6,9,12-14H,3,7-8,10-11H2,1-2H3;4-6,9,12-14H,3,7-8,10-11H2,1-2H3,(H,24,29);3-6,9,12-15H,7-8,10-11H2,1H3;6-11H,2-5H2,1H3,(H2,23,28)/t20-;;;;/m0..../s1.

What are the key properties of 5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone?

5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 2086.70 g/mol, XLogP of 17.23, 17 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 167540960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).