tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate

C21H23Cl2N5O2 — CID 171661473

IUPACtert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc3c(-c4nc(Cl)ncc4Cl)cnn3c2)CC1
InChIInChI=1S/C21H23Cl2N5O2/c1-21(2,3)30-20(29)27-8-6-13(7-9-27)14-4-5-17-15(10-25-28(17)12-14)18-16(22)11-24-19(23)26-18/h4-5,10-13H,6-9H2,1-3H3
InChIKeyKDLJNKYAHYTLRM-UHFFFAOYSA-N
MW448.35 g/mol
LogP5.21
Rot. Bonds2

About tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate

tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate (PubChem CID 171661473) has the molecular formula C21H23Cl2N5O2 and a molecular weight of 448.35 g/mol. Its IUPAC name is tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate
PubChem CID171661473
Molecular FormulaC21H23Cl2N5O2
Molecular Weight448.35 g/mol
Exact Mass447.12
IUPAC Nametert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc3c(-c4nc(Cl)ncc4Cl)cnn3c2)CC1
InChIInChI=1S/C21H23Cl2N5O2/c1-21(2,3)30-20(29)27-8-6-13(7-9-27)14-4-5-17-15(10-25-28(17)12-14)18-16(22)11-24-19(23)26-18/h4-5,10-13H,6-9H2,1-3H3
InChIKeyKDLJNKYAHYTLRM-UHFFFAOYSA-N
XLogP5.21
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.35
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-(2,5-dichloropyrimidin-4-yl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
CID 171661211
tert-butyl 4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxylate
CID 168797719
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 4-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 69229226
tert-butyl 4-(2,5-dichloropyrimidin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171627326
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-(2,5-dichloropyrimidin-4-yl)indole-1-carboxylate
CID 171839816
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl 4-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58851926
tert-butyl 4-[[5-chloro-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 177052188
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate (CID 171661473) is tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc3c(-c4nc(Cl)ncc4Cl)cnn3c2)CC1.
What is the InChIKey of tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate?
The InChIKey is KDLJNKYAHYTLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O2/c1-21(2,3)30-20(29)27-8-6-13(7-9-27)14-4-5-17-15(10-25-28(17)12-14)18-16(22)11-24-19(23)26-18/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate has a molecular weight of 448.35 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(2,5-dichloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 171661473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).