5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide

C30H37FN4O2 — CID 167205059

About 5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide

5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide (PubChem CID 167205059) has the molecular formula C30H37FN4O2 and a molecular weight of 504.65 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
• PubChem CID: 167205059
• Molecular Formula: C30H37FN4O2
• Molecular Weight: 504.65 g/mol
• Exact Mass: 504.29
• IUPAC Name: 5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
• SMILES: Cc1cncc2c1c(C[C@@H]1CCN(C(C)C3CC(=O)C3)C1)cn2-c1ccc(F)cc1C(=O)N(C)C(C)C
• InChI: InChI=1S/C30H37FN4O2/c1-18(2)33(5)30(37)26-13-24(31)6-7-27(26)35-17-23(29-19(3)14-32-15-28(29)35)10-21-8-9-34(16-21)20(4)22-11-25(36)12-22/h6-7,13-15,17-18,20-22H,8-12,16H2,1-5H3/t20?,21-/m0/s1
• InChIKey: ZKFVVWJXCBYOBW-LBAQZLPGSA-N
• XLogP: 5.19
• TPSA: 58.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.65
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide?

The IUPAC name of 5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide (CID 167205059) is 5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide.

What is the SMILES notation for 5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide?

The canonical SMILES for 5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide is Cc1cncc2c1c(C[C@@H]1CCN(C(C)C3CC(=O)C3)C1)cn2-c1ccc(F)cc1C(=O)N(C)C(C)C.

What is the InChIKey of 5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide?

The InChIKey is ZKFVVWJXCBYOBW-LBAQZLPGSA-N. The full InChI is InChI=1S/C30H37FN4O2/c1-18(2)33(5)30(37)26-13-24(31)6-7-27(26)35-17-23(29-19(3)14-32-15-28(29)35)10-21-8-9-34(16-21)20(4)22-11-25(36)12-22/h6-7,13-15,17-18,20-22H,8-12,16H2,1-5H3/t20?,21-/m0/s1.

What are the key properties of 5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide?

5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide has a molecular weight of 504.65 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 167205059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).