1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine

C73H98N12O4S — CID 158741918

About 1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine

1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 158741918) has the molecular formula C73H98N12O4S and a molecular weight of 1239.73 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

• Compound Name: 1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine
• PubChem CID: 158741918
• Molecular Formula: C73H98N12O4S
• Molecular Weight: 1239.73 g/mol
• Exact Mass: 1238.76
• IUPAC Name: 1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine
• SMILES: CC(C)c1cnc(C(C)C)c2c1CC=C2.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1ncc(C(C)C)c2occc12.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2ocnc12
• InChI: InChI=1S/C14H19N.C13H17NO.C12H16N2O.C12H16N2S.2C11H15N3O/c1-9(2)13-8-15-14(10(3)4)12-7-5-6-11(12)13;1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;2*1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8/h5,7-10H,6H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3
• InChIKey: IMKBFTYMKUBQJC-UHFFFAOYSA-N
• XLogP: 21.11
• TPSA: 207.24 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.73
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine?

The IUPAC name of 1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine (CID 158741918) is 1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine.

What is the SMILES notation for 1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine?

The canonical SMILES for 1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine is CC(C)c1cnc(C(C)C)c2c1CC=C2.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1ncc(C(C)C)c2occc12.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2ocnc12.

What is the InChIKey of 1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine?

The InChIKey is IMKBFTYMKUBQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C13H17NO.C12H16N2O.C12H16N2S.2C11H15N3O/c1-9(2)13-8-15-14(10(3)4)12-7-5-6-11(12)13;1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;2*1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8/h5,7-10H,6H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3.

What are the key properties of 1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine?

1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 1239.73 g/mol, XLogP of 21.11, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 158741918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).