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

C30H38FN5O2 — CID 167204618

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

5-fluoro-N-methyl-2-[4-methyl-3-[[1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]piperidin-4-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide (PubChem CID 167204618) has the molecular formula C30H38FN5O2 and a molecular weight of 519.67 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-[4-methyl-3-[[1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]piperidin-4-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-[[1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]piperidin-4-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
• PubChem CID: 167204618
• Molecular Formula: C30H38FN5O2
• Molecular Weight: 519.67 g/mol
• Exact Mass: 519.30
• IUPAC Name: 5-fluoro-N-methyl-2-[4-methyl-3-[[1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]piperidin-4-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
• SMILES: Cc1cncc2c1c(CC1CCN(C[C@H]3CCC(=O)N3)CC1)cn2-c1ccc(F)cc1C(=O)N(C)C(C)C
• InChI: InChI=1S/C30H38FN5O2/c1-19(2)34(4)30(38)25-14-23(31)5-7-26(25)36-17-22(29-20(3)15-32-16-27(29)36)13-21-9-11-35(12-10-21)18-24-6-8-28(37)33-24/h5,7,14-17,19,21,24H,6,8-13,18H2,1-4H3,(H,33,37)/t24-/m1/s1
• InChIKey: ASZWLQLOFGHKEN-XMMPIXPASA-N
• XLogP: 4.49
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.67
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-[4-methyl-3-[[1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]piperidin-4-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-[[1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]piperidin-4-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide (CID 167204618) is 5-fluoro-N-methyl-2-[4-methyl-3-[[1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]piperidin-4-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-[[1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]piperidin-4-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-[[1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]piperidin-4-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide is Cc1cncc2c1c(CC1CCN(C[C@H]3CCC(=O)N3)CC1)cn2-c1ccc(F)cc1C(=O)N(C)C(C)C.

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

The InChIKey is ASZWLQLOFGHKEN-XMMPIXPASA-N. The full InChI is InChI=1S/C30H38FN5O2/c1-19(2)34(4)30(38)25-14-23(31)5-7-26(25)36-17-22(29-20(3)15-32-16-27(29)36)13-21-9-11-35(12-10-21)18-24-6-8-28(37)33-24/h5,7,14-17,19,21,24H,6,8-13,18H2,1-4H3,(H,33,37)/t24-/m1/s1.

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

5-fluoro-N-methyl-2-[4-methyl-3-[[1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]piperidin-4-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide has a molecular weight of 519.67 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 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-[[1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]piperidin-4-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 167204618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).