tert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate

C23H23N5O2 — CID 90670247

IUPACtert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C23H23N5O2/c1-23(2,3)30-22(29)26-14-16-5-4-6-18(13-16)19-7-8-21-25-15-20(28(21)27-19)17-9-11-24-12-10-17/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyGMHRYCAFQTYGSK-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.48
Rot. Bonds4

About tert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate

tert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate (PubChem CID 90670247) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is tert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate
PubChem CID90670247
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Nametert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C23H23N5O2/c1-23(2,3)30-22(29)26-14-16-5-4-6-18(13-16)19-7-8-21-25-15-20(28(21)27-19)17-9-11-24-12-10-17/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyGMHRYCAFQTYGSK-UHFFFAOYSA-N
XLogP4.48
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate (CID 90670247) is tert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1.
What is the InChIKey of tert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate?
The InChIKey is GMHRYCAFQTYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-23(2,3)30-22(29)26-14-16-5-4-6-18(13-16)19-7-8-21-25-15-20(28(21)27-19)17-9-11-24-12-10-17/h4-13,15H,14H2,1-3H3,(H,26,29).
What are the key properties of tert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate?
tert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate has a molecular weight of 401.47 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 90670247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).