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

C29H42N6 — CID 156522614

IUPAC6-(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
SMILESCc1nn(C)cc1-c1ccc(NCC2CC3(CCN(CC45CC(C)CC6CC(C4)C65)CC3)C2)nn1
InChIInChI=1S/C29H42N6/c1-19-10-22-11-23-15-29(12-19,27(22)23)18-35-8-6-28(7-9-35)13-21(14-28)16-30-26-5-4-25(31-32-26)24-17-34(3)33-20(24)2/h4-5,17,19,21-23,27H,6-16,18H2,1-3H3,(H,30,32)
InChIKeyBSUUGUJSOSKOIV-UHFFFAOYSA-N
MW474.70 g/mol
LogP5.16
Rot. Bonds6

About 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

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 (PubChem CID 156522614) has the molecular formula C29H42N6 and a molecular weight of 474.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID156522614
Molecular FormulaC29H42N6
Molecular Weight474.70 g/mol
Exact Mass474.35
IUPAC Name6-(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
SMILESCc1nn(C)cc1-c1ccc(NCC2CC3(CCN(CC45CC(C)CC6CC(C4)C65)CC3)C2)nn1
InChIInChI=1S/C29H42N6/c1-19-10-22-11-23-15-29(12-19,27(22)23)18-35-8-6-28(7-9-35)13-21(14-28)16-30-26-5-4-25(31-32-26)24-17-34(3)33-20(24)2/h4-5,17,19,21-23,27H,6-16,18H2,1-3H3,(H,30,32)
InChIKeyBSUUGUJSOSKOIV-UHFFFAOYSA-N
XLogP5.16
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.70
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(C)cc1-c1ccc(NCC2CC3(CCN(CC45CC(C)CC6CC(C4)C65)CC3)C2)nn1.
What is the InChIKey of 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?
The InChIKey is BSUUGUJSOSKOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N6/c1-19-10-22-11-23-15-29(12-19,27(22)23)18-35-8-6-28(7-9-35)13-21(14-28)16-30-26-5-4-25(31-32-26)24-17-34(3)33-20(24)2/h4-5,17,19,21-23,27H,6-16,18H2,1-3H3,(H,30,32).
What are the key properties of 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?
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 has a molecular weight of 474.70 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156522614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).