tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate

C38H56N8O4Si — CID 155683545

About tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate

tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate (PubChem CID 155683545) has the molecular formula C38H56N8O4Si and a molecular weight of 717.00 g/mol. Its IUPAC name is tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate
• PubChem CID: 155683545
• Molecular Formula: C38H56N8O4Si
• Molecular Weight: 717.00 g/mol
• Exact Mass: 716.42
• IUPAC Name: tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate
• SMILES: Cc1ccc2c(cnn2COCC[Si](C)(C)C)c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)OC(C)(C)C)CC2)C1
• InChI: InChI=1S/C38H56N8O4Si/c1-27-11-12-33-31(23-40-46(33)26-48-20-21-51(6,7)8)34(27)45-15-13-29-32(24-45)41-36(49-25-28-10-9-14-42(28)5)30(22-39)35(29)43-16-18-44(19-17-43)37(47)50-38(2,3)4/h11-12,23,28H,9-10,13-21,24-26H2,1-8H3/t28-/m0/s1
• InChIKey: GPMAVWYKLREGFG-NDEPHWFRSA-N
• XLogP: 6.02
• TPSA: 112.22 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	717.00
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate?

The IUPAC name of tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate (CID 155683545) is tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate is Cc1ccc2c(cnn2COCC[Si](C)(C)C)c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)OC(C)(C)C)CC2)C1.

What is the InChIKey of tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate?

The InChIKey is GPMAVWYKLREGFG-NDEPHWFRSA-N. The full InChI is InChI=1S/C38H56N8O4Si/c1-27-11-12-33-31(23-40-46(33)26-48-20-21-51(6,7)8)34(27)45-15-13-29-32(24-45)41-36(49-25-28-10-9-14-42(28)5)30(22-39)35(29)43-16-18-44(19-17-43)37(47)50-38(2,3)4/h11-12,23,28H,9-10,13-21,24-26H2,1-8H3/t28-/m0/s1.

What are the key properties of tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate?

tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate has a molecular weight of 717.00 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[3-cyano-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[5-methyl-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 155683545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).