(3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one

C24H27N5O4 — CID 158056487

IUPAC(3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one
SMILESCCN(CCOC)c1nccc2oc(-c3cnc4ccc(OC[C@H]5CCC(=O)C5)nn34)cc12
InChIInChI=1S/C24H27N5O4/c1-3-28(10-11-31-2)24-18-13-21(33-20(18)8-9-25-24)19-14-26-22-6-7-23(27-29(19)22)32-15-16-4-5-17(30)12-16/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m0/s1
InChIKeyFKCREOPATAGBPH-INIZCTEOSA-N
MW449.51 g/mol
LogP3.76
Rot. Bonds9

About (3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one

(3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one (PubChem CID 158056487) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is (3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one
PubChem CID158056487
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name(3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one
SMILESCCN(CCOC)c1nccc2oc(-c3cnc4ccc(OC[C@H]5CCC(=O)C5)nn34)cc12
InChIInChI=1S/C24H27N5O4/c1-3-28(10-11-31-2)24-18-13-21(33-20(18)8-9-25-24)19-14-26-22-6-7-23(27-29(19)22)32-15-16-4-5-17(30)12-16/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m0/s1
InChIKeyFKCREOPATAGBPH-INIZCTEOSA-N
XLogP3.76
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one (CID 158056487) is (3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one is CCN(CCOC)c1nccc2oc(-c3cnc4ccc(OC[C@H]5CCC(=O)C5)nn34)cc12.
What is the InChIKey of (3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one?
The InChIKey is FKCREOPATAGBPH-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-3-28(10-11-31-2)24-18-13-21(33-20(18)8-9-25-24)19-14-26-22-6-7-23(27-29(19)22)32-15-16-4-5-17(30)12-16/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one?
(3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one has a molecular weight of 449.51 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one is sourced from PubChem (CID 158056487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).