N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide

C23H27N7O — CID 126922688

IUPACN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1c[nH]c2ccccc12)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C23H27N7O/c1-23(2,3)22-26-25-19-9-10-20(27-30(19)22)29-13-16(14-29)28(4)21(31)11-15-12-24-18-8-6-5-7-17(15)18/h5-10,12,16,24H,11,13-14H2,1-4H3
InChIKeyLJNQNYWDSMSBMW-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.79
Rot. Bonds4

About N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide

N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide (PubChem CID 126922688) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide
PubChem CID126922688
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1c[nH]c2ccccc12)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C23H27N7O/c1-23(2,3)22-26-25-19-9-10-20(27-30(19)22)29-13-16(14-29)28(4)21(31)11-15-12-24-18-8-6-5-7-17(15)18/h5-10,12,16,24H,11,13-14H2,1-4H3
InChIKeyLJNQNYWDSMSBMW-UHFFFAOYSA-N
XLogP2.79
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126923041
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 126922727
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2,4-difluoro-N-methylbenzamide
CID 134161488
1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(quinolin-4-ylmethyl)methanamine
CID 126922517
N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 126922369
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxan-4-ylmethyl)azetidin-3-amine
CID 126922982
2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol
CID 126923036
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126922761
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyltriazol-4-yl)methyl]azetidin-3-amine
CID 126922835
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
CID 126922829
1-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 126910474

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide (CID 126922688) is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide is CN(C(=O)Cc1c[nH]c2ccccc12)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1.
What is the InChIKey of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide?
The InChIKey is LJNQNYWDSMSBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-23(2,3)22-26-25-19-9-10-20(27-30(19)22)29-13-16(14-29)28(4)21(31)11-15-12-24-18-8-6-5-7-17(15)18/h5-10,12,16,24H,11,13-14H2,1-4H3.
What are the key properties of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide?
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide has a molecular weight of 417.52 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 126922688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).