2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane

C24H28N4O — CID 166490665

IUPAC2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane
SMILESCc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1N1CCC2(CCOCC2)C1
InChIInChI=1S/C24H28N4O/c1-17-15-20(22-18(2)26-27-23(22)19-5-10-25-11-6-19)3-4-21(17)28-12-7-24(16-28)8-13-29-14-9-24/h3-6,10-11,15H,7-9,12-14,16H2,1-2H3,(H,26,27)
InChIKeyWSHMENLVGFYOGU-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.76
Rot. Bonds3

About 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane

2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane (PubChem CID 166490665) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane
PubChem CID166490665
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane
SMILESCc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1N1CCC2(CCOCC2)C1
InChIInChI=1S/C24H28N4O/c1-17-15-20(22-18(2)26-27-23(22)19-5-10-25-11-6-19)3-4-21(17)28-12-7-24(16-28)8-13-29-14-9-24/h3-6,10-11,15H,7-9,12-14,16H2,1-2H3,(H,26,27)
InChIKeyWSHMENLVGFYOGU-UHFFFAOYSA-N
XLogP4.76
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane (CID 166490665) is 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane is Cc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1N1CCC2(CCOCC2)C1.
What is the InChIKey of 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is WSHMENLVGFYOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-15-20(22-18(2)26-27-23(22)19-5-10-25-11-6-19)3-4-21(17)28-12-7-24(16-28)8-13-29-14-9-24/h3-6,10-11,15H,7-9,12-14,16H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane?
2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 388.52 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 166490665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).