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

C29H38FN5O — CID 167204551

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

5-fluoro-N-methyl-2-[4-methyl-3-[[1-(piperidin-3-ylmethyl)azetidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide (PubChem CID 167204551) has the molecular formula C29H38FN5O and a molecular weight of 491.66 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-[4-methyl-3-[[1-(piperidin-3-ylmethyl)azetidin-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-[[1-(piperidin-3-ylmethyl)azetidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
• PubChem CID: 167204551
• Molecular Formula: C29H38FN5O
• Molecular Weight: 491.66 g/mol
• Exact Mass: 491.31
• IUPAC Name: 5-fluoro-N-methyl-2-[4-methyl-3-[[1-(piperidin-3-ylmethyl)azetidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
• SMILES: Cc1cncc2c1c(CC1CN(CC3CCCNC3)C1)cn2-c1ccc(F)cc1C(=O)N(C)C(C)C
• InChI: InChI=1S/C29H38FN5O/c1-19(2)33(4)29(36)25-11-24(30)7-8-26(25)35-18-23(28-20(3)12-32-14-27(28)35)10-22-16-34(17-22)15-21-6-5-9-31-13-21/h7-8,11-12,14,18-19,21-22,31H,5-6,9-10,13,15-17H2,1-4H3
• InChIKey: MJFRXXQEAXZMOF-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.66
LogP ≤ 5	4.43
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-(piperidin-3-ylmethyl)azetidin-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-[[1-(piperidin-3-ylmethyl)azetidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide (CID 167204551) is 5-fluoro-N-methyl-2-[4-methyl-3-[[1-(piperidin-3-ylmethyl)azetidin-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-[[1-(piperidin-3-ylmethyl)azetidin-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-[[1-(piperidin-3-ylmethyl)azetidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide is Cc1cncc2c1c(CC1CN(CC3CCCNC3)C1)cn2-c1ccc(F)cc1C(=O)N(C)C(C)C.

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

The InChIKey is MJFRXXQEAXZMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38FN5O/c1-19(2)33(4)29(36)25-11-24(30)7-8-26(25)35-18-23(28-20(3)12-32-14-27(28)35)10-22-16-34(17-22)15-21-6-5-9-31-13-21/h7-8,11-12,14,18-19,21-22,31H,5-6,9-10,13,15-17H2,1-4H3.

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

5-fluoro-N-methyl-2-[4-methyl-3-[[1-(piperidin-3-ylmethyl)azetidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide has a molecular weight of 491.66 g/mol, XLogP of 4.43, 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-(piperidin-3-ylmethyl)azetidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 167204551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).