N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide

C28H31FN4OSi — CID 66850271

About N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide

N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide (PubChem CID 66850271) has the molecular formula C28H31FN4OSi and a molecular weight of 486.67 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
• PubChem CID: 66850271
• Molecular Formula: C28H31FN4OSi
• Molecular Weight: 486.67 g/mol
• Exact Mass: 486.23
• IUPAC Name: N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
• SMILES: CC[Si](C)(C)c1ccc2c(c1)cc(C(=O)Nc1ccc(N3CCC3)nc1)n2Cc1cccc(F)c1
• InChI: InChI=1S/C28H31FN4OSi/c1-4-35(2,3)24-10-11-25-21(16-24)17-26(33(25)19-20-7-5-8-22(29)15-20)28(34)31-23-9-12-27(30-18-23)32-13-6-14-32/h5,7-12,15-18H,4,6,13-14,19H2,1-3H3,(H,31,34)
• InChIKey: NTERDZQESYPOJZ-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.67
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?

The IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide (CID 66850271) is N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide.

What is the SMILES notation for N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?

The canonical SMILES for N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide is CC[Si](C)(C)c1ccc2c(c1)cc(C(=O)Nc1ccc(N3CCC3)nc1)n2Cc1cccc(F)c1.

What is the InChIKey of N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?

The InChIKey is NTERDZQESYPOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4OSi/c1-4-35(2,3)24-10-11-25-21(16-24)17-26(33(25)19-20-7-5-8-22(29)15-20)28(34)31-23-9-12-27(30-18-23)32-13-6-14-32/h5,7-12,15-18H,4,6,13-14,19H2,1-3H3,(H,31,34).

What are the key properties of N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?

N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide has a molecular weight of 486.67 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 66850271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).