2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone

C23H27ClN4O2 — CID 163633251

IUPAC2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone
SMILESO=C(Cc1ccc(Cl)nc1N1CCC2(CC1)CC2)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C23H27ClN4O2/c24-20-5-4-17(22(26-20)28-10-8-23(6-7-23)9-11-28)16-19(29)18-2-1-3-21(25-18)27-12-14-30-15-13-27/h1-5H,6-16H2
InChIKeyDVDPWJWHZQRAGJ-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.77
Rot. Bonds5

About 2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone

2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone (PubChem CID 163633251) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone
PubChem CID163633251
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone
SMILESO=C(Cc1ccc(Cl)nc1N1CCC2(CC1)CC2)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C23H27ClN4O2/c24-20-5-4-17(22(26-20)28-10-8-23(6-7-23)9-11-28)16-19(29)18-2-1-3-21(25-18)27-12-14-30-15-13-27/h1-5H,6-16H2
InChIKeyDVDPWJWHZQRAGJ-UHFFFAOYSA-N
XLogP3.77
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone?
The IUPAC name of 2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone (CID 163633251) is 2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone?
The canonical SMILES for 2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone is O=C(Cc1ccc(Cl)nc1N1CCC2(CC1)CC2)c1cccc(N2CCOCC2)n1.
What is the InChIKey of 2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone?
The InChIKey is DVDPWJWHZQRAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c24-20-5-4-17(22(26-20)28-10-8-23(6-7-23)9-11-28)16-19(29)18-2-1-3-21(25-18)27-12-14-30-15-13-27/h1-5H,6-16H2.
What are the key properties of 2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone?
2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone has a molecular weight of 426.95 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone is sourced from PubChem (CID 163633251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).