tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate

C28H35N5O5 — CID 161036562

IUPACtert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate
SMILESCCN(CCOC)c1nccc2oc(-c3cnc4ccc(OC5CC(CC(=O)OC(C)(C)C)C5)nn34)cc12
InChIInChI=1S/C28H35N5O5/c1-6-32(11-12-35-5)27-20-16-23(37-22(20)9-10-29-27)21-17-30-24-7-8-25(31-33(21)24)36-19-13-18(14-19)15-26(34)38-28(2,3)4/h7-10,16-19H,6,11-15H2,1-5H3
InChIKeyUAIFBJXDEQWPFS-UHFFFAOYSA-N
MW521.62 g/mol
LogP4.90
Rot. Bonds10

About tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate

tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate (PubChem CID 161036562) has the molecular formula C28H35N5O5 and a molecular weight of 521.62 g/mol. Its IUPAC name is tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate
PubChem CID161036562
Molecular FormulaC28H35N5O5
Molecular Weight521.62 g/mol
Exact Mass521.26
IUPAC Nametert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate
SMILESCCN(CCOC)c1nccc2oc(-c3cnc4ccc(OC5CC(CC(=O)OC(C)(C)C)C5)nn34)cc12
InChIInChI=1S/C28H35N5O5/c1-6-32(11-12-35-5)27-20-16-23(37-22(20)9-10-29-27)21-17-30-24-7-8-25(31-33(21)24)36-19-13-18(14-19)15-26(34)38-28(2,3)4/h7-10,16-19H,6,11-15H2,1-5H3
InChIKeyUAIFBJXDEQWPFS-UHFFFAOYSA-N
XLogP4.90
TPSA104.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.62
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate?
The IUPAC name of tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate (CID 161036562) is tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate.
What is the SMILES notation for tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate?
The canonical SMILES for tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate is CCN(CCOC)c1nccc2oc(-c3cnc4ccc(OC5CC(CC(=O)OC(C)(C)C)C5)nn34)cc12.
What is the InChIKey of tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate?
The InChIKey is UAIFBJXDEQWPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O5/c1-6-32(11-12-35-5)27-20-16-23(37-22(20)9-10-29-27)21-17-30-24-7-8-25(31-33(21)24)36-19-13-18(14-19)15-26(34)38-28(2,3)4/h7-10,16-19H,6,11-15H2,1-5H3.
What are the key properties of tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate?
tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate has a molecular weight of 521.62 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]acetate is sourced from PubChem (CID 161036562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).