[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

C98H99Cl4N19O7 — CID 165081724

About [3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (PubChem CID 165081724) has the molecular formula C98H99Cl4N19O7 and a molecular weight of 1796.81 g/mol. Its IUPAC name is [3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.

Molecular Properties

• Compound Name: [3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
• PubChem CID: 165081724
• Molecular Formula: C98H99Cl4N19O7
• Molecular Weight: 1796.81 g/mol
• Exact Mass: 1793.67
• IUPAC Name: [3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
• SMILES: CC1CCN(C(=O)c2cnc3c(ccn3-c3cccnc3)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3cnccn3)c2)CC1.Cc1cncc(-n2cc(Cl)c3cc(C(=O)N4CCC(C)CC4)cnc32)n1.O=C(O)CCc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(c1ccc2c(c1)c(Cl)cn2-c1cccc(Cl)c1)N1CCCCC1
• InChI: InChI=1S/C22H22ClN3O3.C20H18Cl2N2O.C19H20ClN5O.C19H20N4O.C18H19N5O/c23-16-5-4-6-17(14-16)26-19-8-7-15(22(29)25-11-2-1-3-12-25)13-18(19)24-20(26)9-10-21(27)28;21-15-5-4-6-16(12-15)24-13-18(22)17-11-14(7-8-19(17)24)20(25)23-9-2-1-3-10-23;1-12-3-5-24(6-4-12)19(26)14-7-15-16(20)11-25(18(15)22-9-14)17-10-21-8-13(2)23-17;1-14-4-8-22(9-5-14)19(24)16-11-15-6-10-23(18(15)21-12-16)17-3-2-7-20-13-17;1-13-2-7-22(8-3-13)18(24)15-10-14-4-9-23(17(14)21-11-15)16-12-19-5-6-20-16/h4-8,13-14H,1-3,9-12H2,(H,27,28);4-8,11-13H,1-3,9-10H2;7-12H,3-6H2,1-2H3;2-3,6-7,10-14H,4-5,8-9H2,1H3;4-6,9-13H,2-3,7-8H2,1H3
• InChIKey: VFUGJIRWKGYUGH-UHFFFAOYSA-N
• XLogP: 19.52
• TPSA: 279.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1796.81
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?

The IUPAC name of [3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (CID 165081724) is [3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.

What is the SMILES notation for [3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?

The canonical SMILES for [3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is CC1CCN(C(=O)c2cnc3c(ccn3-c3cccnc3)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3cnccn3)c2)CC1.Cc1cncc(-n2cc(Cl)c3cc(C(=O)N4CCC(C)CC4)cnc32)n1.O=C(O)CCc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(c1ccc2c(c1)c(Cl)cn2-c1cccc(Cl)c1)N1CCCCC1.

What is the InChIKey of [3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?

The InChIKey is VFUGJIRWKGYUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3.C20H18Cl2N2O.C19H20ClN5O.C19H20N4O.C18H19N5O/c23-16-5-4-6-17(14-16)26-19-8-7-15(22(29)25-11-2-1-3-12-25)13-18(19)24-20(26)9-10-21(27)28;21-15-5-4-6-16(12-15)24-13-18(22)17-11-14(7-8-19(17)24)20(25)23-9-2-1-3-10-23;1-12-3-5-24(6-4-12)19(26)14-7-15-16(20)11-25(18(15)22-9-14)17-10-21-8-13(2)23-17;1-14-4-8-22(9-5-14)19(24)16-11-15-6-10-23(18(15)21-12-16)17-3-2-7-20-13-17;1-13-2-7-22(8-3-13)18(24)15-10-14-4-9-23(17(14)21-11-15)16-12-19-5-6-20-16/h4-8,13-14H,1-3,9-12H2,(H,27,28);4-8,11-13H,1-3,9-10H2;7-12H,3-6H2,1-2H3;2-3,6-7,10-14H,4-5,8-9H2,1H3;4-6,9-13H,2-3,7-8H2,1H3.

What are the key properties of [3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?

[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone has a molecular weight of 1796.81 g/mol, XLogP of 19.52, 13 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 165081724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).