2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane

C25H30N4O — CID 166490690

IUPAC2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane
SMILESCc1cc(-c2n[nH]c(C)c2-c2ccc(N3CCC4(CCOCC4)C3)cc2)cc(C)n1
InChIInChI=1S/C25H30N4O/c1-17-14-21(15-18(2)26-17)24-23(19(3)27-28-24)20-4-6-22(7-5-20)29-11-8-25(16-29)9-12-30-13-10-25/h4-7,14-15H,8-13,16H2,1-3H3,(H,27,28)
InChIKeyXHNXNEGZACBWIQ-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.07
Rot. Bonds3

About 2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane

2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane (PubChem CID 166490690) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane
PubChem CID166490690
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane
SMILESCc1cc(-c2n[nH]c(C)c2-c2ccc(N3CCC4(CCOCC4)C3)cc2)cc(C)n1
InChIInChI=1S/C25H30N4O/c1-17-14-21(15-18(2)26-17)24-23(19(3)27-28-24)20-4-6-22(7-5-20)29-11-8-25(16-29)9-12-30-13-10-25/h4-7,14-15H,8-13,16H2,1-3H3,(H,27,28)
InChIKeyXHNXNEGZACBWIQ-UHFFFAOYSA-N
XLogP5.07
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-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-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane (CID 166490690) is 2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane is Cc1cc(-c2n[nH]c(C)c2-c2ccc(N3CCC4(CCOCC4)C3)cc2)cc(C)n1.
What is the InChIKey of 2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is XHNXNEGZACBWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-17-14-21(15-18(2)26-17)24-23(19(3)27-28-24)20-4-6-22(7-5-20)29-11-8-25(16-29)9-12-30-13-10-25/h4-7,14-15H,8-13,16H2,1-3H3,(H,27,28).
What are the key properties of 2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane?
2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 402.54 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 166490690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).