(1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide

C16H21N5O — CID 144745279

IUPAC(1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCN1C[C@@H]2C(C(=O)NC(C)(C)c3cnc4cccnn34)[C@@H]2C1
InChIInChI=1S/C16H21N5O/c1-16(2,12-7-17-13-5-4-6-18-21(12)13)19-15(22)14-10-8-20(3)9-11(10)14/h4-7,10-11,14H,8-9H2,1-3H3,(H,19,22)/t10-,11+,14?
InChIKeyFUVFZTDIXUOEAE-BVUQATHDSA-N
MW299.38 g/mol
LogP0.89
Rot. Bonds3

About (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 144745279) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID144745279
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCN1C[C@@H]2C(C(=O)NC(C)(C)c3cnc4cccnn34)[C@@H]2C1
InChIInChI=1S/C16H21N5O/c1-16(2,12-7-17-13-5-4-6-18-21(12)13)19-15(22)14-10-8-20(3)9-11(10)14/h4-7,10-11,14H,8-9H2,1-3H3,(H,19,22)/t10-,11+,14?
InChIKeyFUVFZTDIXUOEAE-BVUQATHDSA-N
XLogP0.89
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine
CID 73346435
3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 73357072
(1S,5R)-3-N-ethyl-3-N-methyl-6-N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide
CID 164608960
US10166214, Example 69
CID 86291762
US10166214, Example 46
CID 86294245
US10166214, Example 20
CID 117709160
US10166214, Example 84
CID 117709172
US10166214, Example 147
CID 117711447
4-(2-Methylimidazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 56778551
US20240360157, Example 252
CID 164573092
2-cyclohexyl-N-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)acetamide
CID 75386616
[3-[(2-Methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone
CID 122158887

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 144745279) is (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide is CN1C[C@@H]2C(C(=O)NC(C)(C)c3cnc4cccnn34)[C@@H]2C1.
What is the InChIKey of (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is FUVFZTDIXUOEAE-BVUQATHDSA-N. The full InChI is InChI=1S/C16H21N5O/c1-16(2,12-7-17-13-5-4-6-18-21(12)13)19-15(22)14-10-8-20(3)9-11(10)14/h4-7,10-11,14H,8-9H2,1-3H3,(H,19,22)/t10-,11+,14?.
What are the key properties of (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 144745279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).