N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

C34H50N12O4Si — CID 161263734

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCn1cc(N2CCN(C(=O)Nc3ccc(O)cn3)CC2)cn1.Cn1cc(N2CCN(C(=O)Nc3ccc(O[Si](C)(C)C(C)(C)C)cn3)CC2)cn1
InChIInChI=1S/C20H32N6O2Si.C14H18N6O2/c1-20(2,3)29(5,6)28-17-7-8-18(21-14-17)23-19(27)26-11-9-25(10-12-26)16-13-22-24(4)15-16;1-18-10-11(8-16-18)19-4-6-20(7-5-19)14(22)17-13-3-2-12(21)9-15-13/h7-8,13-15H,9-12H2,1-6H3,(H,21,23,27);2-3,8-10,21H,4-7H2,1H3,(H,15,17,22)
InChIKeyVCXAECYYKFLRRJ-UHFFFAOYSA-N
MW718.94 g/mol
LogP4.43
Rot. Bonds6

About N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 161263734) has the molecular formula C34H50N12O4Si and a molecular weight of 718.94 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID161263734
Molecular FormulaC34H50N12O4Si
Molecular Weight718.94 g/mol
Exact Mass718.38
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCn1cc(N2CCN(C(=O)Nc3ccc(O)cn3)CC2)cn1.Cn1cc(N2CCN(C(=O)Nc3ccc(O[Si](C)(C)C(C)(C)C)cn3)CC2)cn1
InChIInChI=1S/C20H32N6O2Si.C14H18N6O2/c1-20(2,3)29(5,6)28-17-7-8-18(21-14-17)23-19(27)26-11-9-25(10-12-26)16-13-22-24(4)15-16;1-18-10-11(8-16-18)19-4-6-20(7-5-19)14(22)17-13-3-2-12(21)9-15-13/h7-8,13-15H,9-12H2,1-6H3,(H,21,23,27);2-3,8-10,21H,4-7H2,1H3,(H,15,17,22)
InChIKeyVCXAECYYKFLRRJ-UHFFFAOYSA-N
XLogP4.43
TPSA162.04 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (CID 161263734) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is Cn1cc(N2CCN(C(=O)Nc3ccc(O)cn3)CC2)cn1.Cn1cc(N2CCN(C(=O)Nc3ccc(O[Si](C)(C)C(C)(C)C)cn3)CC2)cn1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is VCXAECYYKFLRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O2Si.C14H18N6O2/c1-20(2,3)29(5,6)28-17-7-8-18(21-14-17)23-19(27)26-11-9-25(10-12-26)16-13-22-24(4)15-16;1-18-10-11(8-16-18)19-4-6-20(7-5-19)14(22)17-13-3-2-12(21)9-15-13/h7-8,13-15H,9-12H2,1-6H3,(H,21,23,27);2-3,8-10,21H,4-7H2,1H3,(H,15,17,22).
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 718.94 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 161263734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).