1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane

C24H21ClN4O2 — CID 146451986

About 1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane

1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane (PubChem CID 146451986) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane.

Molecular Properties

• Compound Name: 1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane
• PubChem CID: 146451986
• Molecular Formula: C24H21ClN4O2
• Molecular Weight: 432.91 g/mol
• Exact Mass: 432.14
• IUPAC Name: 1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane
• SMILES: COc1cncc(-c2cc3cc(-c4ccnc(N5CCC56COC6)c4)[nH]c3cc2Cl)c1
• InChI: InChI=1S/C24H21ClN4O2/c1-30-18-6-17(11-26-12-18)19-7-16-8-21(28-22(16)10-20(19)25)15-2-4-27-23(9-15)29-5-3-24(29)13-31-14-24/h2,4,6-12,28H,3,5,13-14H2,1H3
• InChIKey: UJZFHPMNUJUXRT-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 63.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.91
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane?

The IUPAC name of 1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane (CID 146451986) is 1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane.

What is the SMILES notation for 1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane?

The canonical SMILES for 1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane is COc1cncc(-c2cc3cc(-c4ccnc(N5CCC56COC6)c4)[nH]c3cc2Cl)c1.

What is the InChIKey of 1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane?

The InChIKey is UJZFHPMNUJUXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-30-18-6-17(11-26-12-18)19-7-16-8-21(28-22(16)10-20(19)25)15-2-4-27-23(9-15)29-5-3-24(29)13-31-14-24/h2,4,6-12,28H,3,5,13-14H2,1H3.

What are the key properties of 1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane?

1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane has a molecular weight of 432.91 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane is sourced from PubChem (CID 146451986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).