[(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone

C25H25N5O4 — CID 90368900

IUPAC[(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESC=Cc1cc(-c2cnc3ccc(OCC[C@@H]4CCCN4C(=O)c4ccon4)nn23)oc1/C=C\C
InChIInChI=1S/C25H25N5O4/c1-3-6-21-17(4-2)15-22(34-21)20-16-26-23-8-9-24(27-30(20)23)32-13-10-18-7-5-12-29(18)25(31)19-11-14-33-28-19/h3-4,6,8-9,11,14-16,18H,2,5,7,10,12-13H2,1H3/b6-3-/t18-/m0/s1
InChIKeyBAPKMIIKBIYVSW-CJISVDGZSA-N
MW459.51 g/mol
LogP4.73
Rot. Bonds8

About [(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone

[(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 90368900) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is [(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
PubChem CID90368900
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name[(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESC=Cc1cc(-c2cnc3ccc(OCC[C@@H]4CCCN4C(=O)c4ccon4)nn23)oc1/C=C\C
InChIInChI=1S/C25H25N5O4/c1-3-6-21-17(4-2)15-22(34-21)20-16-26-23-8-9-24(27-30(20)23)32-13-10-18-7-5-12-29(18)25(31)19-11-14-33-28-19/h3-4,6,8-9,11,14-16,18H,2,5,7,10,12-13H2,1H3/b6-3-/t18-/m0/s1
InChIKeyBAPKMIIKBIYVSW-CJISVDGZSA-N
XLogP4.73
TPSA98.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

[2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
CID 78321691
[(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone
CID 90368899
1-[(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]propan-1-one
CID 90368898
[(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 122585653
[2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 80666279
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110135413
N-[[(2R,3R)-3-methyl-1-(1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 129433026
[2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 167758324
[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 71917445
(2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine
CID 78323250
[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride
CID 119543358

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The IUPAC name of [(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone (CID 90368900) is [(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone is C=Cc1cc(-c2cnc3ccc(OCC[C@@H]4CCCN4C(=O)c4ccon4)nn23)oc1/C=C\C.
What is the InChIKey of [(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The InChIKey is BAPKMIIKBIYVSW-CJISVDGZSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-3-6-21-17(4-2)15-22(34-21)20-16-26-23-8-9-24(27-30(20)23)32-13-10-18-7-5-12-29(18)25(31)19-11-14-33-28-19/h3-4,6,8-9,11,14-16,18H,2,5,7,10,12-13H2,1H3/b6-3-/t18-/m0/s1.
What are the key properties of [(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
[(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 459.51 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-[3-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 90368900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).