tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate

C16H22N4O2 — CID 178023884

IUPACtert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate
SMILESC[C@@H](C/C=C/c1cnc2cccnn12)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H22N4O2/c1-12(19-15(21)22-16(2,3)4)7-5-8-13-11-17-14-9-6-10-18-20(13)14/h5-6,8-12H,7H2,1-4H3,(H,19,21)/b8-5+/t12-/m0/s1
InChIKeyVSRAHAAAKPHAOO-ZCRIDZFUSA-N
MW302.38 g/mol
LogP3.05
Rot. Bonds4

About tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate

tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate (PubChem CID 178023884) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate
PubChem CID178023884
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nametert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate
SMILESC[C@@H](C/C=C/c1cnc2cccnn12)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H22N4O2/c1-12(19-15(21)22-16(2,3)4)7-5-8-13-11-17-14-9-6-10-18-20(13)14/h5-6,8-12H,7H2,1-4H3,(H,19,21)/b8-5+/t12-/m0/s1
InChIKeyVSRAHAAAKPHAOO-ZCRIDZFUSA-N
XLogP3.05
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate
CID 178023889
tert-butyl N-[(E,2S)-5-(6-amino-4-chloro-5-methoxy-3-pyridinyl)pent-4-en-2-yl]carbamate
CID 178024399
tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate
CID 178023798
tert-butyl N-[(E,2S)-5-[6-amino-5-(dimethylcarbamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate
CID 178023539
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
CID 140527519
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl N-[4-[3-[(2R)-1-hydroxypropan-2-yl]oxy-2-pyridinyl]butan-2-yl]carbamate
CID 173490592
tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate
CID 141339263
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate
CID 155209398
tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate
CID 172851620

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate (CID 178023884) is tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate is C[C@@H](C/C=C/c1cnc2cccnn12)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate?
The InChIKey is VSRAHAAAKPHAOO-ZCRIDZFUSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(19-15(21)22-16(2,3)4)7-5-8-13-11-17-14-9-6-10-18-20(13)14/h5-6,8-12H,7H2,1-4H3,(H,19,21)/b8-5+/t12-/m0/s1.
What are the key properties of tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate?
tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate has a molecular weight of 302.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate is sourced from PubChem (CID 178023884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).