4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

C107H117FN16O10 — CID 167562286

About 4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 167562286) has the molecular formula C107H117FN16O10 and a molecular weight of 1806.21 g/mol. Its IUPAC name is 4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: 4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
• PubChem CID: 167562286
• Molecular Formula: C107H117FN16O10
• Molecular Weight: 1806.21 g/mol
• Exact Mass: 1804.91
• IUPAC Name: 4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
• SMILES: CC(C)(O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.CC1(F)CCN(C(=O)c2cnc3c(ccn3-c3ccc(C(N)=O)cc3)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3ccc(C(C)O)cc3)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3ccc(CO)cc3)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3cccc(CO)c3)c2)CC1
• InChI: InChI=1S/2C22H25N3O2.C21H21FN4O2.2C21H23N3O2/c1-15-7-10-24(11-8-15)22(27)19-13-18-9-12-25(21(18)23-14-19)20-5-3-17(4-6-20)16(2)26;1-22(2,27)18-6-8-19(9-7-18)25-13-10-16-14-17(15-23-20(16)25)21(26)24-11-4-3-5-12-24;1-21(22)7-10-25(11-8-21)20(28)16-12-15-6-9-26(19(15)24-13-16)17-4-2-14(3-5-17)18(23)27;1-15-6-9-23(10-7-15)21(26)18-12-17-8-11-24(20(17)22-13-18)19-4-2-16(14-25)3-5-19;1-15-5-8-23(9-6-15)21(26)18-12-17-7-10-24(20(17)22-13-18)19-4-2-3-16(11-19)14-25/h3-6,9,12-16,26H,7-8,10-11H2,1-2H3;6-10,13-15,27H,3-5,11-12H2,1-2H3;2-6,9,12-13H,7-8,10-11H2,1H3,(H2,23,27);2-5,8,11-13,15,25H,6-7,9-10,14H2,1H3;2-4,7,10-13,15,25H,5-6,8-9,14H2,1H3
• InChIKey: DUZHXQGMCCLSPS-UHFFFAOYSA-N
• XLogP: 17.70
• TPSA: 314.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1806.21
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

The IUPAC name of 4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 167562286) is 4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for 4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

The canonical SMILES for 4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is CC(C)(O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.CC1(F)CCN(C(=O)c2cnc3c(ccn3-c3ccc(C(N)=O)cc3)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3ccc(C(C)O)cc3)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3ccc(CO)cc3)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3cccc(CO)c3)c2)CC1.

What is the InChIKey of 4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

The InChIKey is DUZHXQGMCCLSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25N3O2.C21H21FN4O2.2C21H23N3O2/c1-15-7-10-24(11-8-15)22(27)19-13-18-9-12-25(21(18)23-14-19)20-5-3-17(4-6-20)16(2)26;1-22(2,27)18-6-8-19(9-7-18)25-13-10-16-14-17(15-23-20(16)25)21(26)24-11-4-3-5-12-24;1-21(22)7-10-25(11-8-21)20(28)16-12-15-6-9-26(19(15)24-13-16)17-4-2-14(3-5-17)18(23)27;1-15-6-9-23(10-7-15)21(26)18-12-17-8-11-24(20(17)22-13-18)19-4-2-16(14-25)3-5-19;1-15-5-8-23(9-6-15)21(26)18-12-17-7-10-24(20(17)22-13-18)19-4-2-3-16(11-19)14-25/h3-6,9,12-16,26H,7-8,10-11H2,1-2H3;6-10,13-15,27H,3-5,11-12H2,1-2H3;2-6,9,12-13H,7-8,10-11H2,1H3,(H2,23,27);2-5,8,11-13,15,25H,6-7,9-10,14H2,1H3;2-4,7,10-13,15,25H,5-6,8-9,14H2,1H3.

What are the key properties of 4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 1806.21 g/mol, XLogP of 17.70, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 167562286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).