[1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile

C117H115ClN22O9 — CID 164965664

About [1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile

[1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile (PubChem CID 164965664) has the molecular formula C117H115ClN22O9 and a molecular weight of 2008.80 g/mol. Its IUPAC name is [1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile.

Molecular Properties

• Compound Name: [1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile
• PubChem CID: 164965664
• Molecular Formula: C117H115ClN22O9
• Molecular Weight: 2008.80 g/mol
• Exact Mass: 2006.89
• IUPAC Name: [1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile
• SMILES: COc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.COc1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.COc1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.N#Cc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.N#Cc1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.O=C(c1cnc2c(ccn2-c2cncc(Cl)c2)c1)N1CCCCC1
• InChI: InChI=1S/2C20H18N4O.2C20H21N3O2.C19H20N4O2.C18H17ClN4O/c21-13-15-4-6-18(7-5-15)24-11-8-16-12-17(14-22-19(16)24)20(25)23-9-2-1-3-10-23;21-13-15-5-4-6-18(11-15)24-10-7-16-12-17(14-22-19(16)24)20(25)23-8-2-1-3-9-23;1-25-18-7-5-17(6-8-18)23-12-9-15-13-16(14-21-19(15)23)20(24)22-10-3-2-4-11-22;1-25-18-7-5-6-17(13-18)23-11-8-15-12-16(14-21-19(15)23)20(24)22-9-3-2-4-10-22;1-25-17-10-16(12-20-13-17)23-8-5-14-9-15(11-21-18(14)23)19(24)22-6-3-2-4-7-22;19-15-9-16(12-20-11-15)23-7-4-13-8-14(10-21-17(13)23)18(24)22-5-2-1-3-6-22/h4-8,11-12,14H,1-3,9-10H2;4-7,10-12,14H,1-3,8-9H2;5-9,12-14H,2-4,10-11H2,1H3;5-8,11-14H,2-4,9-10H2,1H3;5,8-13H,2-4,6-7H2,1H3;4,7-12H,1-3,5-6H2
• InChIKey: CLGFNTJVXFOVJB-UHFFFAOYSA-N
• XLogP: 21.12
• TPSA: 329.83 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.80
LogP ≤ 5	21.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile?

The IUPAC name of [1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile (CID 164965664) is [1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile.

What is the SMILES notation for [1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile?

The canonical SMILES for [1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile is COc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.COc1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.COc1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.N#Cc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.N#Cc1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.O=C(c1cnc2c(ccn2-c2cncc(Cl)c2)c1)N1CCCCC1.

What is the InChIKey of [1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile?

The InChIKey is CLGFNTJVXFOVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18N4O.2C20H21N3O2.C19H20N4O2.C18H17ClN4O/c21-13-15-4-6-18(7-5-15)24-11-8-16-12-17(14-22-19(16)24)20(25)23-9-2-1-3-10-23;21-13-15-5-4-6-18(11-15)24-10-7-16-12-17(14-22-19(16)24)20(25)23-8-2-1-3-9-23;1-25-18-7-5-17(6-8-18)23-12-9-15-13-16(14-21-19(15)23)20(24)22-10-3-2-4-11-22;1-25-18-7-5-6-17(13-18)23-11-8-15-12-16(14-21-19(15)23)20(24)22-9-3-2-4-10-22;1-25-17-10-16(12-20-13-17)23-8-5-14-9-15(11-21-18(14)23)19(24)22-6-3-2-4-7-22;19-15-9-16(12-20-11-15)23-7-4-13-8-14(10-21-17(13)23)18(24)22-5-2-1-3-6-22/h4-8,11-12,14H,1-3,9-10H2;4-7,10-12,14H,1-3,8-9H2;5-9,12-14H,2-4,10-11H2,1H3;5-8,11-14H,2-4,9-10H2,1H3;5,8-13H,2-4,6-7H2,1H3;4,7-12H,1-3,5-6H2.

What are the key properties of [1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile?

[1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile has a molecular weight of 2008.80 g/mol, XLogP of 21.12, 15 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile is sourced from PubChem (CID 164965664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).