8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane

C17H22N4O2 — CID 71925336

IUPAC8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(C)n(-c2ccc(N3CCC4(CC3)OCCO4)nc2)n1
InChIInChI=1S/C17H22N4O2/c1-13-11-14(2)21(19-13)15-3-4-16(18-12-15)20-7-5-17(6-8-20)22-9-10-23-17/h3-4,11-12H,5-10H2,1-2H3
InChIKeyAKISDQHXDIEJJM-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.23
Rot. Bonds2

About 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 71925336) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID71925336
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(C)n(-c2ccc(N3CCC4(CC3)OCCO4)nc2)n1
InChIInChI=1S/C17H22N4O2/c1-13-11-14(2)21(19-13)15-3-4-16(18-12-15)20-7-5-17(6-8-20)22-9-10-23-17/h3-4,11-12H,5-10H2,1-2H3
InChIKeyAKISDQHXDIEJJM-UHFFFAOYSA-N
XLogP2.23
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 71925336) is 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane is Cc1cc(C)n(-c2ccc(N3CCC4(CC3)OCCO4)nc2)n1.
What is the InChIKey of 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is AKISDQHXDIEJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-11-14(2)21(19-13)15-3-4-16(18-12-15)20-7-5-17(6-8-20)22-9-10-23-17/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 314.39 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 71925336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).