tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate

C23H29N7O3 — CID 164609004

IUPACtert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc3ccc(NC(=O)NCc4ccncc4)cn3n2)CC1
InChIInChI=1S/C23H29N7O3/c1-23(2,3)33-22(32)29-12-8-17(9-13-29)20-27-19-5-4-18(15-30(19)28-20)26-21(31)25-14-16-6-10-24-11-7-16/h4-7,10-11,15,17H,8-9,12-14H2,1-3H3,(H2,25,26,31)
InChIKeyKYZDOXDTUBLIBA-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.56
Rot. Bonds4

About tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 164609004) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID164609004
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Nametert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc3ccc(NC(=O)NCc4ccncc4)cn3n2)CC1
InChIInChI=1S/C23H29N7O3/c1-23(2,3)33-22(32)29-12-8-17(9-13-29)20-27-19-5-4-18(15-30(19)28-20)26-21(31)25-14-16-6-10-24-11-7-16/h4-7,10-11,15,17H,8-9,12-14H2,1-3H3,(H2,25,26,31)
InChIKeyKYZDOXDTUBLIBA-UHFFFAOYSA-N
XLogP3.56
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate (CID 164609004) is tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nc3ccc(NC(=O)NCc4ccncc4)cn3n2)CC1.
What is the InChIKey of tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is KYZDOXDTUBLIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-23(2,3)33-22(32)29-12-8-17(9-13-29)20-27-19-5-4-18(15-30(19)28-20)26-21(31)25-14-16-6-10-24-11-7-16/h4-7,10-11,15,17H,8-9,12-14H2,1-3H3,(H2,25,26,31).
What are the key properties of tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 451.53 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(pyridin-4-ylmethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 164609004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).