3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine

C71H92N10S2 — CID 158946406

IUPAC3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine
SMILESCC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2ccsc12.CC(C)(C)c1ccnc2sccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnn2ccccc12
InChIInChI=1S/C13H15N.C11H14N2.2C11H13NS.C9H13N.2C8H12N2/c1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)9-4-6-12-10-8(9)5-7-13-10;1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7/h4-9H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyJKWLPKGDUFETFI-UHFFFAOYSA-N
MW1149.72 g/mol
LogP19.28
Rot. Bonds

About 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine

3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine (PubChem CID 158946406) has the molecular formula C71H92N10S2 and a molecular weight of 1149.72 g/mol. Its IUPAC name is 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine
PubChem CID158946406
Molecular FormulaC71H92N10S2
Molecular Weight1149.72 g/mol
Exact Mass1148.69
IUPAC Name3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine
SMILESCC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2ccsc12.CC(C)(C)c1ccnc2sccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnn2ccccc12
InChIInChI=1S/C13H15N.C11H14N2.2C11H13NS.C9H13N.2C8H12N2/c1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)9-4-6-12-10-8(9)5-7-13-10;1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7/h4-9H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyJKWLPKGDUFETFI-UHFFFAOYSA-N
XLogP19.28
TPSA120.42 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001149.72
LogP ≤ 519.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine?
The IUPAC name of 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine (CID 158946406) is 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine.
What is the SMILES notation for 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine?
The canonical SMILES for 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine is CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2ccsc12.CC(C)(C)c1ccnc2sccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnn2ccccc12.
What is the InChIKey of 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine?
The InChIKey is JKWLPKGDUFETFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C11H14N2.2C11H13NS.C9H13N.2C8H12N2/c1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)9-4-6-12-10-8(9)5-7-13-10;1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7/h4-9H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3.
What are the key properties of 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine?
3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine has a molecular weight of 1149.72 g/mol, XLogP of 19.28, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine is sourced from PubChem (CID 158946406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).