4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine

C122H155N13O2S2 — CID 161275933

IUPAC4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)(C)c1ccnc2c1C=CC2.CC(C)(C)c1ccnc2c1CCC(=O)C2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1
InChIInChI=1S/C13H17NO.C12H15N.C12H13N.C10H12N2.2C10H11NS.C9H12.5C8H11N.C6H9NO/c1-13(2,3)11-6-7-14-12-8-9(15)4-5-10(11)12;1-12(2,3)10-7-8-13-11-6-4-5-9(10)11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-8(2)9-6-4-3-5-7-9;3*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-7-8-4-6/h6-7H,4-5,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;5*3-7H,1-2H3;3-5H,1-2H3
InChIKeyVELAZWIACUDQFO-UHFFFAOYSA-N
MW1899.80 g/mol
LogP33.67
Rot. Bonds11

About 4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine

4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (PubChem CID 161275933) has the molecular formula C122H155N13O2S2 and a molecular weight of 1899.80 g/mol. Its IUPAC name is 4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
PubChem CID161275933
Molecular FormulaC122H155N13O2S2
Molecular Weight1899.80 g/mol
Exact Mass1898.19
IUPAC Name4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)(C)c1ccnc2c1C=CC2.CC(C)(C)c1ccnc2c1CCC(=O)C2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1
InChIInChI=1S/C13H17NO.C12H15N.C12H13N.C10H12N2.2C10H11NS.C9H12.5C8H11N.C6H9NO/c1-13(2,3)11-6-7-14-12-8-9(15)4-5-10(11)12;1-12(2,3)10-7-8-13-11-6-4-5-9(10)11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-8(2)9-6-4-3-5-7-9;3*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-7-8-4-6/h6-7H,4-5,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;5*3-7H,1-2H3;3-5H,1-2H3
InChIKeyVELAZWIACUDQFO-UHFFFAOYSA-N
XLogP33.67
TPSA189.30 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001899.80
LogP ≤ 533.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The IUPAC name of 4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (CID 161275933) is 4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine.
What is the SMILES notation for 4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The canonical SMILES for 4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine is CC(C)(C)c1ccnc2c1C=CC2.CC(C)(C)c1ccnc2c1CCC(=O)C2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1.
What is the InChIKey of 4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The InChIKey is VELAZWIACUDQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C12H15N.C12H13N.C10H12N2.2C10H11NS.C9H12.5C8H11N.C6H9NO/c1-13(2,3)11-6-7-14-12-8-9(15)4-5-10(11)12;1-12(2,3)10-7-8-13-11-6-4-5-9(10)11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-8(2)9-6-4-3-5-7-9;3*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-7-8-4-6/h6-7H,4-5,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;5*3-7H,1-2H3;3-5H,1-2H3.
What are the key properties of 4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine has a molecular weight of 1899.80 g/mol, XLogP of 33.67, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine is sourced from PubChem (CID 161275933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).