5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole

C35H44N6O2 — CID 160541614

About 5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole

5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 160541614) has the molecular formula C35H44N6O2 and a molecular weight of 580.78 g/mol. Its IUPAC name is 5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

• Compound Name: 5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
• PubChem CID: 160541614
• Molecular Formula: C35H44N6O2
• Molecular Weight: 580.78 g/mol
• Exact Mass: 580.35
• IUPAC Name: 5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
• SMILES: C1=C(c2cn[nH]c2)CC2CNCC12.COc1ccncc1C1=CC2CNCC2C1.Cc1ccc(C2=CC3CNCC3C2)o1
• InChI: InChI=1S/C13H16N2O.C12H15NO.C10H13N3/c1-16-13-2-3-14-8-12(13)9-4-10-6-15-7-11(10)5-9;1-8-2-3-12(14-8)9-4-10-6-13-7-11(10)5-9;1-7(10-5-12-13-6-10)2-9-4-11-3-8(1)9/h2-4,8,10-11,15H,5-7H2,1H3;2-4,10-11,13H,5-7H2,1H3;1,5-6,8-9,11H,2-4H2,(H,12,13)
• InChIKey: QWVZIYSZDPBXOY-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 100.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.78
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?

The IUPAC name of 5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (CID 160541614) is 5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.

What is the SMILES notation for 5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?

The canonical SMILES for 5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is C1=C(c2cn[nH]c2)CC2CNCC12.COc1ccncc1C1=CC2CNCC2C1.Cc1ccc(C2=CC3CNCC3C2)o1.

What is the InChIKey of 5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?

The InChIKey is QWVZIYSZDPBXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C12H15NO.C10H13N3/c1-16-13-2-3-14-8-12(13)9-4-10-6-15-7-11(10)5-9;1-8-2-3-12(14-8)9-4-10-6-13-7-11(10)5-9;1-7(10-5-12-13-6-10)2-9-4-11-3-8(1)9/h2-4,8,10-11,15H,5-7H2,1H3;2-4,10-11,13H,5-7H2,1H3;1,5-6,8-9,11H,2-4H2,(H,12,13).

What are the key properties of 5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?

5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 580.78 g/mol, XLogP of 4.96, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 160541614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).