2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde

C48H55ClN8O6Si2 — CID 158525878

IUPAC2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde
SMILESC[Si](C)(C)CCOCn1nccc1-c1cnc(Cl)nc1.C[Si](C)(C)CCOCn1nccc1-c1cnc(Oc2ccc3cc(C=O)ccc3c2)nc1.O=Cc1ccc2cc(O)ccc2c1.[H][H]
InChIInChI=1S/C24H26N4O3Si.C13H19ClN4OSi.C11H8O2.H2/c1-32(2,3)11-10-30-17-28-23(8-9-27-28)21-14-25-24(26-15-21)31-22-7-6-19-12-18(16-29)4-5-20(19)13-22;1-20(2,3)7-6-19-10-18-12(4-5-17-18)11-8-15-13(14)16-9-11;12-7-8-1-2-10-6-11(13)4-3-9(10)5-8;/h4-9,12-16H,10-11,17H2,1-3H3;4-5,8-9H,6-7,10H2,1-3H3;1-7,13H;1H
InChIKeyHMTVBERZOJAKCD-UHFFFAOYSA-N
MW931.64 g/mol
LogP11.32
Rot. Bonds16

About 2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde

2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde (PubChem CID 158525878) has the molecular formula C48H55ClN8O6Si2 and a molecular weight of 931.64 g/mol. Its IUPAC name is 2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde
PubChem CID158525878
Molecular FormulaC48H55ClN8O6Si2
Molecular Weight931.64 g/mol
Exact Mass930.35
IUPAC Name2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde
SMILESC[Si](C)(C)CCOCn1nccc1-c1cnc(Cl)nc1.C[Si](C)(C)CCOCn1nccc1-c1cnc(Oc2ccc3cc(C=O)ccc3c2)nc1.O=Cc1ccc2cc(O)ccc2c1.[H][H]
InChIInChI=1S/C24H26N4O3Si.C13H19ClN4OSi.C11H8O2.H2/c1-32(2,3)11-10-30-17-28-23(8-9-27-28)21-14-25-24(26-15-21)31-22-7-6-19-12-18(16-29)4-5-20(19)13-22;1-20(2,3)7-6-19-10-18-12(4-5-17-18)11-8-15-13(14)16-9-11;12-7-8-1-2-10-6-11(13)4-3-9(10)5-8;/h4-9,12-16H,10-11,17H2,1-3H3;4-5,8-9H,6-7,10H2,1-3H3;1-7,13H;1H
InChIKeyHMTVBERZOJAKCD-UHFFFAOYSA-N
XLogP11.32
TPSA169.26 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500931.64
LogP ≤ 511.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperazin-1-yl]ethanone
CID 161371729
6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde
CID 144777697
2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid
CID 150095031
3-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methylamino]propanenitrile
CID 123594014
deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde
CID 158609056
4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
CID 86651955
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638
CID 161313568
CID 161313568
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde
CID 88868066
2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150079028
2-[[3-[(1-chloroisoquinolin-6-yl)oxymethyl]-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171404399

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde?
The IUPAC name of 2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde (CID 158525878) is 2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde?
The canonical SMILES for 2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde is C[Si](C)(C)CCOCn1nccc1-c1cnc(Cl)nc1.C[Si](C)(C)CCOCn1nccc1-c1cnc(Oc2ccc3cc(C=O)ccc3c2)nc1.O=Cc1ccc2cc(O)ccc2c1.[H][H].
What is the InChIKey of 2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde?
The InChIKey is HMTVBERZOJAKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3Si.C13H19ClN4OSi.C11H8O2.H2/c1-32(2,3)11-10-30-17-28-23(8-9-27-28)21-14-25-24(26-15-21)31-22-7-6-19-12-18(16-29)4-5-20(19)13-22;1-20(2,3)7-6-19-10-18-12(4-5-17-18)11-8-15-13(14)16-9-11;12-7-8-1-2-10-6-11(13)4-3-9(10)5-8;/h4-9,12-16H,10-11,17H2,1-3H3;4-5,8-9H,6-7,10H2,1-3H3;1-7,13H;1H.
What are the key properties of 2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde?
2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde has a molecular weight of 931.64 g/mol, XLogP of 11.32, 16 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 158525878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).