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Tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate

C29H32N8O4 — CID 169267558

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
SMILESCc1cccnc1C(=O)COc1cc(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cn2ncc(C#N)c12
InChIInChI=1S/C29H32N8O4/c1-18-7-6-10-31-25(18)23(38)17-40-24-13-20(16-36-27(24)21(14-30)15-32-36)26-19(2)37(34-33-26)22-8-11-35(12-9-22)28(39)41-29(3,4)5/h6-7,10,13,15-16,22H,8-9,11-12,17H2,1-5H3
InChIKeyGBXXNPDSSJQCRL-UHFFFAOYSA-N
MW556.63 g/mol
LogP4.31
Rot. Bonds6

About Tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate

Tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (PubChem CID 169267558) has the molecular formula C29H32N8O4 and a molecular weight of 556.63 g/mol. Its IUPAC name is tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound NameTert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
PubChem CID169267558
Molecular FormulaC29H32N8O4
Molecular Weight556.63 g/mol
Exact Mass556.25
IUPAC Nametert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
SMILESCc1cccnc1C(=O)COc1cc(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cn2ncc(C#N)c12
InChIInChI=1S/C29H32N8O4/c1-18-7-6-10-31-25(18)23(38)17-40-24-13-20(16-36-27(24)21(14-30)15-32-36)26-19(2)37(34-33-26)22-8-11-35(12-9-22)28(39)41-29(3,4)5/h6-7,10,13,15-16,22H,8-9,11-12,17H2,1-5H3
InChIKeyGBXXNPDSSJQCRL-UHFFFAOYSA-N
XLogP4.31
TPSA140.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.63
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze Tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of Tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (CID 169267558) is tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]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-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for Tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is Cc1cccnc1C(=O)COc1cc(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cn2ncc(C#N)c12.
What is the InChIKey of Tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?
The InChIKey is GBXXNPDSSJQCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O4/c1-18-7-6-10-31-25(18)23(38)17-40-24-13-20(16-36-27(24)21(14-30)15-32-36)26-19(2)37(34-33-26)22-8-11-35(12-9-22)28(39)41-29(3,4)5/h6-7,10,13,15-16,22H,8-9,11-12,17H2,1-5H3.
What are the key properties of Tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?
Tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate has a molecular weight of 556.63 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 4-[4-[3-cyano-4-[2-(3-methyl-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 169267558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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