5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide

C30H39ClN6O2Si — CID 153453970

IUPAC5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
SMILESC[Si](C)(C)CCOCn1c(C(=O)NCCCN2CCCCC2)nc2cc(-c3cc(Cl)c4cnccc4n3)ccc21
InChIInChI=1S/C30H39ClN6O2Si/c1-40(2,3)17-16-39-21-37-28-9-8-22(26-19-24(31)23-20-32-12-10-25(23)34-26)18-27(28)35-29(37)30(38)33-11-7-15-36-13-5-4-6-14-36/h8-10,12,18-20H,4-7,11,13-17,21H2,1-3H3,(H,33,38)
InChIKeyFLHIPTJIYBEMFK-UHFFFAOYSA-N
MW579.22 g/mol
LogP6.22
Rot. Bonds11

About 5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide

5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide (PubChem CID 153453970) has the molecular formula C30H39ClN6O2Si and a molecular weight of 579.22 g/mol. Its IUPAC name is 5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
PubChem CID153453970
Molecular FormulaC30H39ClN6O2Si
Molecular Weight579.22 g/mol
Exact Mass578.26
IUPAC Name5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
SMILESC[Si](C)(C)CCOCn1c(C(=O)NCCCN2CCCCC2)nc2cc(-c3cc(Cl)c4cnccc4n3)ccc21
InChIInChI=1S/C30H39ClN6O2Si/c1-40(2,3)17-16-39-21-37-28-9-8-22(26-19-24(31)23-20-32-12-10-25(23)34-26)18-27(28)35-29(37)30(38)33-11-7-15-36-13-5-4-6-14-36/h8-10,12,18-20H,4-7,11,13-17,21H2,1-3H3,(H,33,38)
InChIKeyFLHIPTJIYBEMFK-UHFFFAOYSA-N
XLogP6.22
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.22
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide?
The IUPAC name of 5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide (CID 153453970) is 5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide?
The canonical SMILES for 5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide is C[Si](C)(C)CCOCn1c(C(=O)NCCCN2CCCCC2)nc2cc(-c3cc(Cl)c4cnccc4n3)ccc21.
What is the InChIKey of 5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide?
The InChIKey is FLHIPTJIYBEMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClN6O2Si/c1-40(2,3)17-16-39-21-37-28-9-8-22(26-19-24(31)23-20-32-12-10-25(23)34-26)18-27(28)35-29(37)30(38)33-11-7-15-36-13-5-4-6-14-36/h8-10,12,18-20H,4-7,11,13-17,21H2,1-3H3,(H,33,38).
What are the key properties of 5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide?
5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide has a molecular weight of 579.22 g/mol, XLogP of 6.22, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide is sourced from PubChem (CID 153453970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).