N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine

C23H34N6S — CID 138562226

IUPACN-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
SMILESCc1cnn(C)c1-c1ccc(NC2CC3(CCN(CC4CCSCC4)CC3)C2)nn1
InChIInChI=1S/C23H34N6S/c1-17-15-24-28(2)22(17)20-3-4-21(27-26-20)25-19-13-23(14-19)7-9-29(10-8-23)16-18-5-11-30-12-6-18/h3-4,15,18-19H,5-14,16H2,1-2H3,(H,25,27)
InChIKeyVDHLIPXDZVUMON-UHFFFAOYSA-N
MW426.63 g/mol
LogP3.99
Rot. Bonds5

About N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine

N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine (PubChem CID 138562226) has the molecular formula C23H34N6S and a molecular weight of 426.63 g/mol. Its IUPAC name is N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound NameN-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
PubChem CID138562226
Molecular FormulaC23H34N6S
Molecular Weight426.63 g/mol
Exact Mass426.26
IUPAC NameN-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
SMILESCc1cnn(C)c1-c1ccc(NC2CC3(CCN(CC4CCSCC4)CC3)C2)nn1
InChIInChI=1S/C23H34N6S/c1-17-15-24-28(2)22(17)20-3-4-21(27-26-20)25-19-13-23(14-19)7-9-29(10-8-23)16-18-5-11-30-12-6-18/h3-4,15,18-19H,5-14,16H2,1-2H3,(H,25,27)
InChIKeyVDHLIPXDZVUMON-UHFFFAOYSA-N
XLogP3.99
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine
CID 138562539
6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(2-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine
CID 138562621
N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine
CID 138562238
7-(3,3-dimethylbutyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine
CID 138562318
7-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine
CID 138562476
N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine
CID 138562553
N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 138562573
N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine
CID 138562576
7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine
CID 155662113
7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine
CID 155662115
6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(7-methyl-1-tricyclo[3.3.1.03,9]nonanyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine
CID 156522614
N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 97436244

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine (CID 138562226) is N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine is Cc1cnn(C)c1-c1ccc(NC2CC3(CCN(CC4CCSCC4)CC3)C2)nn1.
What is the InChIKey of N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is VDHLIPXDZVUMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6S/c1-17-15-24-28(2)22(17)20-3-4-21(27-26-20)25-19-13-23(14-19)7-9-29(10-8-23)16-18-5-11-30-12-6-18/h3-4,15,18-19H,5-14,16H2,1-2H3,(H,25,27).
What are the key properties of N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine has a molecular weight of 426.63 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(thian-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 138562226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).