9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one

C25H32N8O2 — CID 67979864

IUPAC9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOc1cncc(-c2cn(C)nc2CN2CCNC3(CCN(c4nc(C)cc(C)n4)CC3)C2=O)c1
InChIInChI=1S/C25H32N8O2/c1-17-11-18(2)29-24(28-17)32-8-5-25(6-9-32)23(34)33(10-7-27-25)16-22-21(15-31(3)30-22)19-12-20(35-4)14-26-13-19/h11-15,27H,5-10,16H2,1-4H3
InChIKeyOQAUMZFJQZCYTG-UHFFFAOYSA-N
MW476.59 g/mol
LogP1.87
Rot. Bonds5

About 9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one

9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 67979864) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID67979864
Molecular FormulaC25H32N8O2
Molecular Weight476.59 g/mol
Exact Mass476.26
IUPAC Name9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOc1cncc(-c2cn(C)nc2CN2CCNC3(CCN(c4nc(C)cc(C)n4)CC3)C2=O)c1
InChIInChI=1S/C25H32N8O2/c1-17-11-18(2)29-24(28-17)32-8-5-25(6-9-32)23(34)33(10-7-27-25)16-22-21(15-31(3)30-22)19-12-20(35-4)14-26-13-19/h11-15,27H,5-10,16H2,1-4H3
InChIKeyOQAUMZFJQZCYTG-UHFFFAOYSA-N
XLogP1.87
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one 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 9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one (CID 67979864) is 9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one is COc1cncc(-c2cn(C)nc2CN2CCNC3(CCN(c4nc(C)cc(C)n4)CC3)C2=O)c1.
What is the InChIKey of 9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is OQAUMZFJQZCYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-17-11-18(2)29-24(28-17)32-8-5-25(6-9-32)23(34)33(10-7-27-25)16-22-21(15-31(3)30-22)19-12-20(35-4)14-26-13-19/h11-15,27H,5-10,16H2,1-4H3.
What are the key properties of 9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 476.59 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(5-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 67979864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).