2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine)

C99H121ClN12O9Si3 — CID 163977349

IUPAC2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine)
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(Cl)c3)cc2C1.C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(NC4CCC4)c3)cc2C1.C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(NC4CCC4)c3)cc2C1.NC1CCC1
InChIInChI=1S/2C33H40N4O3Si.C29H32ClN3O3Si.C4H9N/c2*1-41(2,3)17-16-38-23-37-21-30(24-8-5-4-6-9-24)36-33(37)26-18-25-19-28(12-13-31(25)39-22-26)40-29-14-15-34-32(20-29)35-27-10-7-11-27;1-37(2,3)14-13-34-20-33-18-26(21-7-5-4-6-8-21)32-29(33)23-15-22-16-24(9-10-27(22)35-19-23)36-25-11-12-31-28(30)17-25;5-4-2-1-3-4/h2*4-6,8-9,12-15,19-21,26-27H,7,10-11,16-18,22-23H2,1-3H3,(H,34,35);4-12,16-18,23H,13-15,19-20H2,1-3H3;4H,1-3,5H2
InChIKeySVIDFMHTYALOQP-UHFFFAOYSA-N
MW1742.84 g/mol
LogP23.39
Rot. Bonds31

About 2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine)

2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine) (PubChem CID 163977349) has the molecular formula C99H121ClN12O9Si3 and a molecular weight of 1742.84 g/mol. Its IUPAC name is 2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine).

Molecular Properties

Compound Name2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine)
PubChem CID163977349
Molecular FormulaC99H121ClN12O9Si3
Molecular Weight1742.84 g/mol
Exact Mass1740.84
IUPAC Name2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine)
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(Cl)c3)cc2C1.C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(NC4CCC4)c3)cc2C1.C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(NC4CCC4)c3)cc2C1.NC1CCC1
InChIInChI=1S/2C33H40N4O3Si.C29H32ClN3O3Si.C4H9N/c2*1-41(2,3)17-16-38-23-37-21-30(24-8-5-4-6-9-24)36-33(37)26-18-25-19-28(12-13-31(25)39-22-26)40-29-14-15-34-32(20-29)35-27-10-7-11-27;1-37(2,3)14-13-34-20-33-18-26(21-7-5-4-6-8-21)32-29(33)23-15-22-16-24(9-10-27(22)35-19-23)36-25-11-12-31-28(30)17-25;5-4-2-1-3-4/h2*4-6,8-9,12-15,19-21,26-27H,7,10-11,16-18,22-23H2,1-3H3,(H,34,35);4-12,16-18,23H,13-15,19-20H2,1-3H3;4H,1-3,5H2
InChIKeySVIDFMHTYALOQP-UHFFFAOYSA-N
XLogP23.39
TPSA225.28 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds31
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001742.84
LogP ≤ 523.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine)?
The IUPAC name of 2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine) (CID 163977349) is 2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine).
What is the SMILES notation for 2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine)?
The canonical SMILES for 2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine) is C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(Cl)c3)cc2C1.C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(NC4CCC4)c3)cc2C1.C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(NC4CCC4)c3)cc2C1.NC1CCC1.
What is the InChIKey of 2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine)?
The InChIKey is SVIDFMHTYALOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H40N4O3Si.C29H32ClN3O3Si.C4H9N/c2*1-41(2,3)17-16-38-23-37-21-30(24-8-5-4-6-9-24)36-33(37)26-18-25-19-28(12-13-31(25)39-22-26)40-29-14-15-34-32(20-29)35-27-10-7-11-27;1-37(2,3)14-13-34-20-33-18-26(21-7-5-4-6-8-21)32-29(33)23-15-22-16-24(9-10-27(22)35-19-23)36-25-11-12-31-28(30)17-25;5-4-2-1-3-4/h2*4-6,8-9,12-15,19-21,26-27H,7,10-11,16-18,22-23H2,1-3H3,(H,34,35);4-12,16-18,23H,13-15,19-20H2,1-3H3;4H,1-3,5H2.
What are the key properties of 2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine)?
2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine) has a molecular weight of 1742.84 g/mol, XLogP of 23.39, 31 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-[(2-chloro-4-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane;cyclobutanamine;bis(N-cyclobutyl-4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine) is sourced from PubChem (CID 163977349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).