tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate

C28H33ClFN7O4 — CID 164920333

IUPACtert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
SMILESCc1c(-c2cc(OCC(C)(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C28H33ClFN7O4/c1-17-24(33-34-37(17)20-8-10-35(11-9-20)26(38)41-27(2,3)4)18-12-22(25-21(29)14-32-36(25)15-18)40-16-28(5,39)23-7-6-19(30)13-31-23/h6-7,12-15,20,39H,8-11,16H2,1-5H3
InChIKeyHYESSUGLXRCKAF-UHFFFAOYSA-N
MW586.07 g/mol
LogP4.95
Rot. Bonds6

About tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (PubChem CID 164920333) has the molecular formula C28H33ClFN7O4 and a molecular weight of 586.07 g/mol. Its IUPAC name is tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
PubChem CID164920333
Molecular FormulaC28H33ClFN7O4
Molecular Weight586.07 g/mol
Exact Mass585.23
IUPAC Nametert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
SMILESCc1c(-c2cc(OCC(C)(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C28H33ClFN7O4/c1-17-24(33-34-37(17)20-8-10-35(11-9-20)26(38)41-27(2,3)4)18-12-22(25-21(29)14-32-36(25)15-18)40-16-28(5,39)23-7-6-19(30)13-31-23/h6-7,12-15,20,39H,8-11,16H2,1-5H3
InChIKeyHYESSUGLXRCKAF-UHFFFAOYSA-N
XLogP4.95
TPSA119.90 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.07
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 164920913
tert-butyl 4-[4-[4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxypropoxy]-3-fluoropyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 169267440
1-[4-[4-[3-fluoro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 171074764
tert-butyl 4-[4-[3-cyano-4-[2-(5-fluoro-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 176863951
tert-butyl 4-[4-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-phenylmethoxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 171074910
1-[3-chloro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 169267286
1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 176863944
tert-butyl 4-[4-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)-2-methylsulfonyloxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 169267366
(2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 169267415
(2R)-1-[3-chloro-6-[1-[(3S,4R)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 169267619
tert-butyl (3S,4R)-4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-3-fluoropiperidine-1-carboxylate
CID 176863972
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (CID 164920333) is tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is Cc1c(-c2cc(OCC(C)(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?
The InChIKey is HYESSUGLXRCKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClFN7O4/c1-17-24(33-34-37(17)20-8-10-35(11-9-20)26(38)41-27(2,3)4)18-12-22(25-21(29)14-32-36(25)15-18)40-16-28(5,39)23-7-6-19(30)13-31-23/h6-7,12-15,20,39H,8-11,16H2,1-5H3.
What are the key properties of tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate has a molecular weight of 586.07 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 164920333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).