cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole

C169H218N20OS — CID 159897071

About cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole

cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole (PubChem CID 159897071) has the molecular formula C169H218N20OS and a molecular weight of 2577.81 g/mol. Its IUPAC name is cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole
• PubChem CID: 159897071
• Molecular Formula: C169H218N20OS
• Molecular Weight: 2577.81 g/mol
• Exact Mass: 2575.73
• IUPAC Name: cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole
• SMILES: CC(C)C1=CC=NC1.CC(C)C1=Cc2ccccc2C1.CC(C)C1=Cc2cccnc2C1.CC(C)C1=Cc2ncccc2C1.CC(C)C1=NC=CC1.CC(C)C1=Nc2ccccc2C1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)CN=C2.CC(C)c1ccc2c(c1)OCN2.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1nccs1
• InChI: InChI=1S/C12H14.C11H13N.C11H15N.4C11H13N.3C10H12N2.C10H13NO.C9H12.2C8H11N.2C7H11N.C6H10N2.C6H9NS/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)9-3-4-10-6-12-7-11(10)5-9;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6/h3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-5,7-8H,6H2,1-2H3;2*3-6,8H,7H2,1-2H3;3*3-7H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-4,6H,5H2,1-2H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3
• InChIKey: NVMBPJXAEHYEQU-UHFFFAOYSA-N
• XLogP: 45.72
• TPSA: 277.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2577.81
LogP ≤ 5	45.72
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole?

The IUPAC name of cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole (CID 159897071) is cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole.

What is the SMILES notation for cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole?

The canonical SMILES for cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole is CC(C)C1=CC=NC1.CC(C)C1=Cc2ccccc2C1.CC(C)C1=Cc2cccnc2C1.CC(C)C1=Cc2ncccc2C1.CC(C)C1=NC=CC1.CC(C)C1=Nc2ccccc2C1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)CN=C2.CC(C)c1ccc2c(c1)OCN2.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1nccs1.

What is the InChIKey of cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole?

The InChIKey is NVMBPJXAEHYEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C11H13N.C11H15N.4C11H13N.3C10H12N2.C10H13NO.C9H12.2C8H11N.2C7H11N.C6H10N2.C6H9NS/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)9-3-4-10-6-12-7-11(10)5-9;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6/h3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-5,7-8H,6H2,1-2H3;2*3-6,8H,7H2,1-2H3;3*3-7H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-4,6H,5H2,1-2H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3.

What are the key properties of cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole?

cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole has a molecular weight of 2577.81 g/mol, XLogP of 45.72, 18 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1H-indole;bis(5-propan-2-yl-1H-indazole);6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159897071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).