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

C30H41FN6O — CID 134347827

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

2-[3-[1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide (PubChem CID 134347827) has the molecular formula C30H41FN6O and a molecular weight of 520.70 g/mol. Its IUPAC name is 2-[3-[1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 2-[3-[1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
• PubChem CID: 134347827
• Molecular Formula: C30H41FN6O
• Molecular Weight: 520.70 g/mol
• Exact Mass: 520.33
• IUPAC Name: 2-[3-[1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
• SMILES: CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCN(CCN3CCC(N)CC3)CC2)c2ccncc21
• InChI: InChI=1S/C30H41FN6O/c1-21(2)34(3)30(38)26-18-23(31)4-5-28(26)37-20-27(25-6-11-33-19-29(25)37)22-7-12-35(13-8-22)16-17-36-14-9-24(32)10-15-36/h4-6,11,18-22,24H,7-10,12-17,32H2,1-3H3
• InChIKey: GJGXSLFDXRIBPM-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 70.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.70
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[3-[1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide (CID 134347827) is 2-[3-[1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide.

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

The canonical SMILES for 2-[3-[1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide is CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCN(CCN3CCC(N)CC3)CC2)c2ccncc21.

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

The InChIKey is GJGXSLFDXRIBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41FN6O/c1-21(2)34(3)30(38)26-18-23(31)4-5-28(26)37-20-27(25-6-11-33-19-29(25)37)22-7-12-35(13-8-22)16-17-36-14-9-24(32)10-15-36/h4-6,11,18-22,24H,7-10,12-17,32H2,1-3H3.

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

2-[3-[1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 520.70 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 134347827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).