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

C15H19N5O — CID 86294245

IUPAC(1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cnc2cccnn12
InChIInChI=1S/C15H19N5O/c1-15(2,11-8-17-12-4-3-5-18-20(11)12)19-14(21)13-9-6-16-7-10(9)13/h3-5,8-10,13,16H,6-7H2,1-2H3,(H,19,21)/t9-,10+,13?
InChIKeyZKTLIVLGKFXXBA-HWYHXSKPSA-N
MW285.35 g/mol
LogP0.55
Rot. Bonds3

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

(1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86294245) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-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-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86294245
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cnc2cccnn12
InChIInChI=1S/C15H19N5O/c1-15(2,11-8-17-12-4-3-5-18-20(11)12)19-14(21)13-9-6-16-7-10(9)13/h3-5,8-10,13,16H,6-7H2,1-2H3,(H,19,21)/t9-,10+,13?
InChIKeyZKTLIVLGKFXXBA-HWYHXSKPSA-N
XLogP0.55
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-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-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86294245) is (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-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-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-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cnc2cccnn12.
What is the InChIKey of (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is ZKTLIVLGKFXXBA-HWYHXSKPSA-N. The full InChI is InChI=1S/C15H19N5O/c1-15(2,11-8-17-12-4-3-5-18-20(11)12)19-14(21)13-9-6-16-7-10(9)13/h3-5,8-10,13,16H,6-7H2,1-2H3,(H,19,21)/t9-,10+,13?.
What are the key properties of (1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 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-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86294245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).