N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride

C40H51ClF6N10O5Si — CID 159296515

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride
SMILESC1CCOC1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)nc1.Cl.O=C(Nc1ccc(O)cn1)N1CCN(c2nc(F)c(F)cc2F)CC1
InChIInChI=1S/C21H28F3N5O2Si.C15H14F3N5O2.C4H8O.ClH/c1-21(2,3)32(4,5)31-14-6-7-17(25-13-14)26-20(30)29-10-8-28(9-11-29)19-16(23)12-15(22)18(24)27-19;16-10-7-11(17)14(21-13(10)18)22-3-5-23(6-4-22)15(25)20-12-2-1-9(24)8-19-12;1-2-4-5-3-1;/h6-7,12-13H,8-11H2,1-5H3,(H,25,26,30);1-2,7-8,24H,3-6H2,(H,19,20,25);1-4H2;1H
InChIKeyUOMJITXVHNVXFY-UHFFFAOYSA-N
MW929.44 g/mol
LogP7.80
Rot. Bonds6

About N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride (PubChem CID 159296515) has the molecular formula C40H51ClF6N10O5Si and a molecular weight of 929.44 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride
PubChem CID159296515
Molecular FormulaC40H51ClF6N10O5Si
Molecular Weight929.44 g/mol
Exact Mass928.34
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride
SMILESC1CCOC1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)nc1.Cl.O=C(Nc1ccc(O)cn1)N1CCN(c2nc(F)c(F)cc2F)CC1
InChIInChI=1S/C21H28F3N5O2Si.C15H14F3N5O2.C4H8O.ClH/c1-21(2,3)32(4,5)31-14-6-7-17(25-13-14)26-20(30)29-10-8-28(9-11-29)19-16(23)12-15(22)18(24)27-19;16-10-7-11(17)14(21-13(10)18)22-3-5-23(6-4-22)15(25)20-12-2-1-9(24)8-19-12;1-2-4-5-3-1;/h6-7,12-13H,8-11H2,1-5H3,(H,25,26,30);1-2,7-8,24H,3-6H2,(H,19,20,25);1-4H2;1H
InChIKeyUOMJITXVHNVXFY-UHFFFAOYSA-N
XLogP7.80
TPSA161.41 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500929.44
LogP ≤ 57.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride (CID 159296515) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride is C1CCOC1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)nc1.Cl.O=C(Nc1ccc(O)cn1)N1CCN(c2nc(F)c(F)cc2F)CC1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride?
The InChIKey is UOMJITXVHNVXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N5O2Si.C15H14F3N5O2.C4H8O.ClH/c1-21(2,3)32(4,5)31-14-6-7-17(25-13-14)26-20(30)29-10-8-28(9-11-29)19-16(23)12-15(22)18(24)27-19;16-10-7-11(17)14(21-13(10)18)22-3-5-23(6-4-22)15(25)20-12-2-1-9(24)8-19-12;1-2-4-5-3-1;/h6-7,12-13H,8-11H2,1-5H3,(H,25,26,30);1-2,7-8,24H,3-6H2,(H,19,20,25);1-4H2;1H.
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride has a molecular weight of 929.44 g/mol, XLogP of 7.80, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride is sourced from PubChem (CID 159296515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).