(6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C20H28N4O2 — CID 95707584

IUPAC(6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1cc(C)c(CN2CCO[C@]3(CNCCOC3)C2)c(-n2cccn2)c1
InChIInChI=1S/C20H28N4O2/c1-16-10-17(2)18(19(11-16)24-6-3-4-22-24)12-23-7-9-26-20(14-23)13-21-5-8-25-15-20/h3-4,6,10-11,21H,5,7-9,12-15H2,1-2H3/t20-/m1/s1
InChIKeyORQYSGPKWBLIAK-HXUWFJFHSA-N
MW356.47 g/mol
LogP1.68
Rot. Bonds3

About (6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

(6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 95707584) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID95707584
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1cc(C)c(CN2CCO[C@]3(CNCCOC3)C2)c(-n2cccn2)c1
InChIInChI=1S/C20H28N4O2/c1-16-10-17(2)18(19(11-16)24-6-3-4-22-24)12-23-7-9-26-20(14-23)13-21-5-8-25-15-20/h3-4,6,10-11,21H,5,7-9,12-15H2,1-2H3/t20-/m1/s1
InChIKeyORQYSGPKWBLIAK-HXUWFJFHSA-N
XLogP1.68
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 95707584) is (6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is Cc1cc(C)c(CN2CCO[C@]3(CNCCOC3)C2)c(-n2cccn2)c1.
What is the InChIKey of (6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is ORQYSGPKWBLIAK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-16-10-17(2)18(19(11-16)24-6-3-4-22-24)12-23-7-9-26-20(14-23)13-21-5-8-25-15-20/h3-4,6,10-11,21H,5,7-9,12-15H2,1-2H3/t20-/m1/s1.
What are the key properties of (6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
(6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 356.47 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 95707584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).