N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide

C27H28Cl2F3N5O2Si — CID 90005902

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(Cl)ncnc1Cl)c1ccc2c(ccn2-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C27H28Cl2F3N5O2Si/c1-26(2,3)40(4,5)39-13-12-37(25(38)22-23(28)34-16-35-24(22)29)18-6-8-20-17(14-18)10-11-36(20)19-7-9-21(33-15-19)27(30,31)32/h6-11,14-16H,12-13H2,1-5H3
InChIKeyGQXCECQEMZPTIF-UHFFFAOYSA-N
MW610.54 g/mol
LogP7.81
Rot. Bonds7

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide (PubChem CID 90005902) has the molecular formula C27H28Cl2F3N5O2Si and a molecular weight of 610.54 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide
PubChem CID90005902
Molecular FormulaC27H28Cl2F3N5O2Si
Molecular Weight610.54 g/mol
Exact Mass609.13
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(Cl)ncnc1Cl)c1ccc2c(ccn2-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C27H28Cl2F3N5O2Si/c1-26(2,3)40(4,5)39-13-12-37(25(38)22-23(28)34-16-35-24(22)29)18-6-8-20-17(14-18)10-11-36(20)19-7-9-21(33-15-19)27(30,31)32/h6-11,14-16H,12-13H2,1-5H3
InChIKeyGQXCECQEMZPTIF-UHFFFAOYSA-N
XLogP7.81
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.54
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide (CID 90005902) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide is CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(Cl)ncnc1Cl)c1ccc2c(ccn2-c2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide?
The InChIKey is GQXCECQEMZPTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2F3N5O2Si/c1-26(2,3)40(4,5)39-13-12-37(25(38)22-23(28)34-16-35-24(22)29)18-6-8-20-17(14-18)10-11-36(20)19-7-9-21(33-15-19)27(30,31)32/h6-11,14-16H,12-13H2,1-5H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide has a molecular weight of 610.54 g/mol, XLogP of 7.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 90005902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).