(6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol

C30H30ClN3O3SSi — CID 86704808

IUPAC(6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol
SMILESCOCOc1ccccc1Sc1cccc(C(O)c2c(-c3ccccc3)nn3c([Si](C)(C)C)c(Cl)ccc23)n1
InChIInChI=1S/C30H30ClN3O3SSi/c1-36-19-37-24-14-8-9-15-25(24)38-26-16-10-13-22(32-26)29(35)27-23-18-17-21(31)30(39(2,3)4)34(23)33-28(27)20-11-6-5-7-12-20/h5-18,29,35H,19H2,1-4H3
InChIKeyPPVFLBLTMBCGSP-UHFFFAOYSA-N
MW576.19 g/mol
LogP6.81
Rot. Bonds9

About (6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol

(6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol (PubChem CID 86704808) has the molecular formula C30H30ClN3O3SSi and a molecular weight of 576.19 g/mol. Its IUPAC name is (6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name(6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol
PubChem CID86704808
Molecular FormulaC30H30ClN3O3SSi
Molecular Weight576.19 g/mol
Exact Mass575.15
IUPAC Name(6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol
SMILESCOCOc1ccccc1Sc1cccc(C(O)c2c(-c3ccccc3)nn3c([Si](C)(C)C)c(Cl)ccc23)n1
InChIInChI=1S/C30H30ClN3O3SSi/c1-36-19-37-24-14-8-9-15-25(24)38-26-16-10-13-22(32-26)29(35)27-23-18-17-21(31)30(39(2,3)4)34(23)33-28(27)20-11-6-5-7-12-20/h5-18,29,35H,19H2,1-4H3
InChIKeyPPVFLBLTMBCGSP-UHFFFAOYSA-N
XLogP6.81
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.19
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate
CID 86704739
(3-bromo-6-methoxy-2-phenylpyrazolo[1,5-a]pyridin-7-yl)-trimethylsilane
CID 86704676
3-methoxy-6-(2-methoxyphenyl)sulfanyl-2-phenylimidazo[1,2-b]pyridazine
CID 10666415
(2,6-dimethoxyphenyl)-[2-(methoxymethoxy)phenyl]methanol
CID 101068033
1-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]but-2-yn-1-ol
CID 86616855
1-(methoxymethoxy)-3-methyl-2-phenylbenzene
CID 58214661
1,2-bis(methoxymethoxy)-3-phenylbenzene
CID 11000249
2-[4-(1-hydroxyethyl)-3,5-bis(methoxymethoxy)phenyl]chromen-4-one
CID 176986827
2-bromo-1-chloro-3-(methoxymethoxy)benzene
CID 164894389
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
4-(ethylamino)-5-(1-hydroxyethyl)-2-methyl-6-phenylpyridazin-3-one
CID 16756196
1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol
CID 3756816

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol?
The IUPAC name of (6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol (CID 86704808) is (6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol.
What is the SMILES notation for (6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol?
The canonical SMILES for (6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol is COCOc1ccccc1Sc1cccc(C(O)c2c(-c3ccccc3)nn3c([Si](C)(C)C)c(Cl)ccc23)n1.
What is the InChIKey of (6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol?
The InChIKey is PPVFLBLTMBCGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN3O3SSi/c1-36-19-37-24-14-8-9-15-25(24)38-26-16-10-13-22(32-26)29(35)27-23-18-17-21(31)30(39(2,3)4)34(23)33-28(27)20-11-6-5-7-12-20/h5-18,29,35H,19H2,1-4H3.
What are the key properties of (6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol?
(6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol has a molecular weight of 576.19 g/mol, XLogP of 6.81, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-phenyl-7-trimethylsilylpyrazolo[1,5-a]pyridin-3-yl)-[6-[2-(methoxymethoxy)phenyl]sulfanyl-2-pyridinyl]methanol is sourced from PubChem (CID 86704808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).