5-fluoro-N-methyl-2-[3-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide

C30H31FN6O2 — CID 134347799

About 5-fluoro-N-methyl-2-[3-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide

5-fluoro-N-methyl-2-[3-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide (PubChem CID 134347799) has the molecular formula C30H31FN6O2 and a molecular weight of 526.62 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-[3-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 5-fluoro-N-methyl-2-[3-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
• PubChem CID: 134347799
• Molecular Formula: C30H31FN6O2
• Molecular Weight: 526.62 g/mol
• Exact Mass: 526.25
• IUPAC Name: 5-fluoro-N-methyl-2-[3-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
• SMILES: CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCN(Cc3ccc4[nH]c(=O)[nH]c4c3)C2)c2ccncc21
• InChI: InChI=1S/C30H31FN6O2/c1-18(2)35(3)29(38)23-13-21(31)5-7-27(23)37-17-24(22-8-10-32-14-28(22)37)20-9-11-36(16-20)15-19-4-6-25-26(12-19)34-30(39)33-25/h4-8,10,12-14,17-18,20H,9,11,15-16H2,1-3H3,(H2,33,34,39)
• InChIKey: KTGKPSODOSMNOX-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 90.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.62
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-fluoro-N-methyl-2-[3-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide (CID 134347799) is 5-fluoro-N-methyl-2-[3-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide.

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

The canonical SMILES for 5-fluoro-N-methyl-2-[3-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide is CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCN(Cc3ccc4[nH]c(=O)[nH]c4c3)C2)c2ccncc21.

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

The InChIKey is KTGKPSODOSMNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN6O2/c1-18(2)35(3)29(38)23-13-21(31)5-7-27(23)37-17-24(22-8-10-32-14-28(22)37)20-9-11-36(16-20)15-19-4-6-25-26(12-19)34-30(39)33-25/h4-8,10,12-14,17-18,20H,9,11,15-16H2,1-3H3,(H2,33,34,39).

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

5-fluoro-N-methyl-2-[3-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide has a molecular weight of 526.62 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-methyl-2-[3-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 134347799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).