tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate

C24H27N5O2S — CID 153383543

IUPACtert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate
SMILESCn1cc2cc(-c3nc4ncc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)ccc2n1
InChIInChI=1S/C24H27N5O2S/c1-24(2,3)31-23(30)29-9-7-15(8-10-29)17-12-20-21(25-13-17)26-22(32-20)16-5-6-19-18(11-16)14-28(4)27-19/h5-6,11-15H,7-10H2,1-4H3
InChIKeyFBELCHPWBPETKS-UHFFFAOYSA-N
MW449.58 g/mol
LogP5.36
Rot. Bonds2

About tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate (PubChem CID 153383543) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate
PubChem CID153383543
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC Nametert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate
SMILESCn1cc2cc(-c3nc4ncc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)ccc2n1
InChIInChI=1S/C24H27N5O2S/c1-24(2,3)31-23(30)29-9-7-15(8-10-29)17-12-20-21(25-13-17)26-22(32-20)16-5-6-19-18(11-16)14-28(4)27-19/h5-6,11-15H,7-10H2,1-4H3
InChIKeyFBELCHPWBPETKS-UHFFFAOYSA-N
XLogP5.36
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine
CID 159219621
tert-butyl 4-hydroxy-4-[6-(2-methylindazol-5-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate
CID 151400391
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl 3-[6-[2-(methoxymethoxy)-4-(2-methylindazol-5-yl)phenyl]pyridazin-3-yl]azetidine-1-carboxylate
CID 168895317
tert-butyl 4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidine-1-carboxylate
CID 67467599
tert-butyl 4-(2-piperidin-4-yloxy-1,3-benzothiazol-6-yl)piperidine-1-carboxylate
CID 67465738
tert-butyl 4-[2-(7-ethyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178051074
tert-butyl 4-[6-formyl-5-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
CID 166078752
tert-butyl 3-methyl-6-(2-methylindazol-5-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 171618579
tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate
CID 122451438
tert-butyl 4-[5-[6-(methoxymethoxy)-2-methylindazol-5-yl]pyrazolo[4,3-b]pyridin-2-yl]piperidine-1-carboxylate
CID 168902520

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate (CID 153383543) is tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate is Cn1cc2cc(-c3nc4ncc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)ccc2n1.
What is the InChIKey of tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate?
The InChIKey is FBELCHPWBPETKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-24(2,3)31-23(30)29-9-7-15(8-10-29)17-12-20-21(25-13-17)26-22(32-20)16-5-6-19-18(11-16)14-28(4)27-19/h5-6,11-15H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate has a molecular weight of 449.58 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 153383543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).