1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one

C26H31ClN4O2 — CID 159829945

About 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one

1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one (PubChem CID 159829945) has the molecular formula C26H31ClN4O2 and a molecular weight of 467.01 g/mol. Its IUPAC name is 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one.

Molecular Properties

• Compound Name: 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
• PubChem CID: 159829945
• Molecular Formula: C26H31ClN4O2
• Molecular Weight: 467.01 g/mol
• Exact Mass: 466.21
• IUPAC Name: 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
• SMILES: O=C(CCCN1CCOCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
• InChI: InChI=1S/C26H31ClN4O2/c27-21-3-5-22(6-4-21)31-19-24(23-7-10-28-18-25(23)31)20-8-12-30(13-9-20)26(32)2-1-11-29-14-16-33-17-15-29/h3-7,10,18-20H,1-2,8-9,11-17H2
• InChIKey: NUUOXXORHQNRGX-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.01
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one?

The IUPAC name of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one (CID 159829945) is 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one.

What is the SMILES notation for 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one?

The canonical SMILES for 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one is O=C(CCCN1CCOCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.

What is the InChIKey of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one?

The InChIKey is NUUOXXORHQNRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O2/c27-21-3-5-22(6-4-21)31-19-24(23-7-10-28-18-25(23)31)20-8-12-30(13-9-20)26(32)2-1-11-29-14-16-33-17-15-29/h3-7,10,18-20H,1-2,8-9,11-17H2.

What are the key properties of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one?

1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one has a molecular weight of 467.01 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 159829945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).