4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid

C29H37ClFN7O4Si — CID 175493675

IUPAC4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid
SMILESCc1c(-c2cc(OC(CO[Si](C)(C)C(C)(C)C)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCN(C(=O)O)CC1
InChIInChI=1S/C29H37ClFN7O4Si/c1-18-26(34-35-38(18)21-9-11-36(12-10-21)28(39)40)19-13-24(27-22(30)15-33-37(27)16-19)42-25(23-8-7-20(31)14-32-23)17-41-43(5,6)29(2,3)4/h7-8,13-16,21,25H,9-12,17H2,1-6H3,(H,39,40)
InChIKeyWQIFUORBDMPSTH-UHFFFAOYSA-N
MW630.20 g/mol
LogP6.55
Rot. Bonds8

About 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid

4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid (PubChem CID 175493675) has the molecular formula C29H37ClFN7O4Si and a molecular weight of 630.20 g/mol. Its IUPAC name is 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid
PubChem CID175493675
Molecular FormulaC29H37ClFN7O4Si
Molecular Weight630.20 g/mol
Exact Mass629.23
IUPAC Name4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid
SMILESCc1c(-c2cc(OC(CO[Si](C)(C)C(C)(C)C)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCN(C(=O)O)CC1
InChIInChI=1S/C29H37ClFN7O4Si/c1-18-26(34-35-38(18)21-9-11-36(12-10-21)28(39)40)19-13-24(27-22(30)15-33-37(27)16-19)42-25(23-8-7-20(31)14-32-23)17-41-43(5,6)29(2,3)4/h7-8,13-16,21,25H,9-12,17H2,1-6H3,(H,39,40)
InChIKeyWQIFUORBDMPSTH-UHFFFAOYSA-N
XLogP6.55
TPSA119.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.20
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid (CID 175493675) is 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid is Cc1c(-c2cc(OC(CO[Si](C)(C)C(C)(C)C)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid?
The InChIKey is WQIFUORBDMPSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClFN7O4Si/c1-18-26(34-35-38(18)21-9-11-36(12-10-21)28(39)40)19-13-24(27-22(30)15-33-37(27)16-19)42-25(23-8-7-20(31)14-32-23)17-41-43(5,6)29(2,3)4/h7-8,13-16,21,25H,9-12,17H2,1-6H3,(H,39,40).
What are the key properties of 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid?
4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid has a molecular weight of 630.20 g/mol, XLogP of 6.55, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-3-chloropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175493675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).