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

C24H28N4O — CID 166490692

IUPAC2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane
SMILESCc1cc(-c2n[nH]c(C)c2-c2ccc(N3CCC4(CCOCC4)C3)cc2)ccn1
InChIInChI=1S/C24H28N4O/c1-17-15-20(7-11-25-17)23-22(18(2)26-27-23)19-3-5-21(6-4-19)28-12-8-24(16-28)9-13-29-14-10-24/h3-7,11,15H,8-10,12-14,16H2,1-2H3,(H,26,27)
InChIKeyZKEAUHFQWFJBSA-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.76
Rot. Bonds3

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

2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane (PubChem CID 166490692) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane
PubChem CID166490692
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane
SMILESCc1cc(-c2n[nH]c(C)c2-c2ccc(N3CCC4(CCOCC4)C3)cc2)ccn1
InChIInChI=1S/C24H28N4O/c1-17-15-20(7-11-25-17)23-22(18(2)26-27-23)19-3-5-21(6-4-19)28-12-8-24(16-28)9-13-29-14-10-24/h3-7,11,15H,8-10,12-14,16H2,1-2H3,(H,26,27)
InChIKeyZKEAUHFQWFJBSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane (CID 166490692) is 2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane is Cc1cc(-c2n[nH]c(C)c2-c2ccc(N3CCC4(CCOCC4)C3)cc2)ccn1.
What is the InChIKey of 2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is ZKEAUHFQWFJBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-15-20(7-11-25-17)23-22(18(2)26-27-23)19-3-5-21(6-4-19)28-12-8-24(16-28)9-13-29-14-10-24/h3-7,11,15H,8-10,12-14,16H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane?
2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-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-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 166490692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).