ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen

C30H34FN3O3 — CID 143866683

About ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen

ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen (PubChem CID 143866683) has the molecular formula C30H34FN3O3 and a molecular weight of 503.62 g/mol. Its IUPAC name is ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen.

Molecular Properties

• Compound Name: ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen
• PubChem CID: 143866683
• Molecular Formula: C30H34FN3O3
• Molecular Weight: 503.62 g/mol
• Exact Mass: 503.26
• IUPAC Name: ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen
• SMILES: CCOC(=O)c1ccc2c(C(=O)NCc3ccc(CC)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1.[H][H]
• InChI: InChI=1S/C30H32FN3O3.H2/c1-5-21-11-10-20(15-25(21)31)17-33-29(35)27-24-13-12-22(30(36)37-6-2)16-26(24)34(28(27)19(3)4)18-23-9-7-8-14-32-23;/h7-16,19H,5-6,17-18H2,1-4H3,(H,33,35);1H
• InChIKey: VPUNTNPCJAHEER-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.62
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen?

The IUPAC name of ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen (CID 143866683) is ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen.

What is the SMILES notation for ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen?

The canonical SMILES for ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen is CCOC(=O)c1ccc2c(C(=O)NCc3ccc(CC)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1.[H][H].

What is the InChIKey of ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen?

The InChIKey is VPUNTNPCJAHEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O3.H2/c1-5-21-11-10-20(15-25(21)31)17-33-29(35)27-24-13-12-22(30(36)37-6-2)16-26(24)34(28(27)19(3)4)18-23-9-7-8-14-32-23;/h7-16,19H,5-6,17-18H2,1-4H3,(H,33,35);1H.

What are the key properties of ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen?

ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen has a molecular weight of 503.62 g/mol, XLogP of 6.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen is sourced from PubChem (CID 143866683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).