1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one

C28H26N4O2 — CID 159588070

About 1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one

1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one (PubChem CID 159588070) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
• PubChem CID: 159588070
• Molecular Formula: C28H26N4O2
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.21
• IUPAC Name: 1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
• SMILES: O=C(C1=Cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2C1)N1CCCC1
• InChI: InChI=1S/C28H26N4O2/c33-27-4-3-13-32(27)23-7-5-19(6-8-23)21-14-22(18-29-17-21)24-9-10-30-26-16-20(15-25(24)26)28(34)31-11-1-2-12-31/h5-10,14-15,17-18H,1-4,11-13,16H2
• InChIKey: MJWNHCRLGCLVCB-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?

The IUPAC name of 1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one (CID 159588070) is 1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?

The canonical SMILES for 1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one is O=C(C1=Cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2C1)N1CCCC1.

What is the InChIKey of 1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?

The InChIKey is MJWNHCRLGCLVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c33-27-4-3-13-32(27)23-7-5-19(6-8-23)21-14-22(18-29-17-21)24-9-10-30-26-16-20(15-25(24)26)28(34)31-11-1-2-12-31/h5-10,14-15,17-18H,1-4,11-13,16H2.

What are the key properties of 1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?

1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one has a molecular weight of 450.54 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 159588070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).