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

C46H63ClN12O5Si — CID 162236291

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride
SMILESC1CCOC1.Cl.Cn1ncc2c(N3CCN(C(=O)Nc4ccc(O)cn4)CC3)cccc21.Cn1ncc2c(N3CCN(C(=O)Nc4ccc(O[Si](C)(C)C(C)(C)C)cn4)CC3)cccc21
InChIInChI=1S/C24H34N6O2Si.C18H20N6O2.C4H8O.ClH/c1-24(2,3)33(5,6)32-18-10-11-22(25-16-18)27-23(31)30-14-12-29(13-15-30)21-9-7-8-20-19(21)17-26-28(20)4;1-22-15-3-2-4-16(14(15)12-20-22)23-7-9-24(10-8-23)18(26)21-17-6-5-13(25)11-19-17;1-2-4-5-3-1;/h7-11,16-17H,12-15H2,1-6H3,(H,25,27,31);2-6,11-12,25H,7-10H2,1H3,(H,19,21,26);1-4H2;1H
InChIKeyFFXWZGCTLMJJSL-UHFFFAOYSA-N
MW927.63 g/mol
LogP7.95
Rot. Bonds6

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

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride (PubChem CID 162236291) has the molecular formula C46H63ClN12O5Si and a molecular weight of 927.63 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride
PubChem CID162236291
Molecular FormulaC46H63ClN12O5Si
Molecular Weight927.63 g/mol
Exact Mass926.45
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride
SMILESC1CCOC1.Cl.Cn1ncc2c(N3CCN(C(=O)Nc4ccc(O)cn4)CC3)cccc21.Cn1ncc2c(N3CCN(C(=O)Nc4ccc(O[Si](C)(C)C(C)(C)C)cn4)CC3)cccc21
InChIInChI=1S/C24H34N6O2Si.C18H20N6O2.C4H8O.ClH/c1-24(2,3)33(5,6)32-18-10-11-22(25-16-18)27-23(31)30-14-12-29(13-15-30)21-9-7-8-20-19(21)17-26-28(20)4;1-22-15-3-2-4-16(14(15)12-20-22)23-7-9-24(10-8-23)18(26)21-17-6-5-13(25)11-19-17;1-2-4-5-3-1;/h7-11,16-17H,12-15H2,1-6H3,(H,25,27,31);2-6,11-12,25H,7-10H2,1H3,(H,19,21,26);1-4H2;1H
InChIKeyFFXWZGCTLMJJSL-UHFFFAOYSA-N
XLogP7.95
TPSA171.27 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.63
LogP ≤ 57.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride (CID 162236291) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride is C1CCOC1.Cl.Cn1ncc2c(N3CCN(C(=O)Nc4ccc(O)cn4)CC3)cccc21.Cn1ncc2c(N3CCN(C(=O)Nc4ccc(O[Si](C)(C)C(C)(C)C)cn4)CC3)cccc21.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride?
The InChIKey is FFXWZGCTLMJJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2Si.C18H20N6O2.C4H8O.ClH/c1-24(2,3)33(5,6)32-18-10-11-22(25-16-18)27-23(31)30-14-12-29(13-15-30)21-9-7-8-20-19(21)17-26-28(20)4;1-22-15-3-2-4-16(14(15)12-20-22)23-7-9-24(10-8-23)18(26)21-17-6-5-13(25)11-19-17;1-2-4-5-3-1;/h7-11,16-17H,12-15H2,1-6H3,(H,25,27,31);2-6,11-12,25H,7-10H2,1H3,(H,19,21,26);1-4H2;1H.
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride has a molecular weight of 927.63 g/mol, XLogP of 7.95, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride is sourced from PubChem (CID 162236291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).