tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate

C34H47F2N7O4Si — CID 171724894

IUPACtert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate
SMILESCc1c(-c2cc(OC(CO[Si](C)(C)C(C)(C)C)c3ccc(F)cn3)c3c(F)cnn3c2)nnn1C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C34H47F2N7O4Si/c1-22-29(39-40-43(22)34(8)13-15-41(16-14-34)31(44)47-32(2,3)4)23-17-27(30-25(36)19-38-42(30)20-23)46-28(26-12-11-24(35)18-37-26)21-45-48(9,10)33(5,6)7/h11-12,17-20,28H,13-16,21H2,1-10H3
InChIKeySXBJBKTUQWEHGQ-UHFFFAOYSA-N
MW683.88 g/mol
LogP7.46
Rot. Bonds8

About tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate (PubChem CID 171724894) has the molecular formula C34H47F2N7O4Si and a molecular weight of 683.88 g/mol. Its IUPAC name is tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate
PubChem CID171724894
Molecular FormulaC34H47F2N7O4Si
Molecular Weight683.88 g/mol
Exact Mass683.34
IUPAC Nametert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate
SMILESCc1c(-c2cc(OC(CO[Si](C)(C)C(C)(C)C)c3ccc(F)cn3)c3c(F)cnn3c2)nnn1C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C34H47F2N7O4Si/c1-22-29(39-40-43(22)34(8)13-15-41(16-14-34)31(44)47-32(2,3)4)23-17-27(30-25(36)19-38-42(30)20-23)46-28(26-12-11-24(35)18-37-26)21-45-48(9,10)33(5,6)7/h11-12,17-20,28H,13-16,21H2,1-10H3
InChIKeySXBJBKTUQWEHGQ-UHFFFAOYSA-N
XLogP7.46
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.88
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate (CID 171724894) is tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate is Cc1c(-c2cc(OC(CO[Si](C)(C)C(C)(C)C)c3ccc(F)cn3)c3c(F)cnn3c2)nnn1C1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate?
The InChIKey is SXBJBKTUQWEHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47F2N7O4Si/c1-22-29(39-40-43(22)34(8)13-15-41(16-14-34)31(44)47-32(2,3)4)23-17-27(30-25(36)19-38-42(30)20-23)46-28(26-12-11-24(35)18-37-26)21-45-48(9,10)33(5,6)7/h11-12,17-20,28H,13-16,21H2,1-10H3.
What are the key properties of tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate has a molecular weight of 683.88 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 171724894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).