(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol

C19H15F2N5O2 — CID 50991633

IUPAC(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESCO/N=C(\C)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1
InChIInChI=1S/C19H15F2N5O2/c1-10(25-28-2)13-5-6-16-23-9-15(26(16)24-13)19(27)17-12(20)8-14-11(18(17)21)4-3-7-22-14/h3-9,19,27H,1-2H3/b25-10+
InChIKeyUKOHZYVLIPEGSG-KIBLKLHPSA-N
MW383.36 g/mol
LogP3.01
Rot. Bonds4

About (5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol

(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol (PubChem CID 50991633) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is (5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol
PubChem CID50991633
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESCO/N=C(\C)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1
InChIInChI=1S/C19H15F2N5O2/c1-10(25-28-2)13-5-6-16-23-9-15(26(16)24-13)19(27)17-12(20)8-14-11(18(17)21)4-3-7-22-14/h3-9,19,27H,1-2H3/b25-10+
InChIKeyUKOHZYVLIPEGSG-KIBLKLHPSA-N
XLogP3.01
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol 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 (5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol?
The IUPAC name of (5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol (CID 50991633) is (5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol.
What is the SMILES notation for (5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol?
The canonical SMILES for (5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol is CO/N=C(\C)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1.
What is the InChIKey of (5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol?
The InChIKey is UKOHZYVLIPEGSG-KIBLKLHPSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c1-10(25-28-2)13-5-6-16-23-9-15(26(16)24-13)19(27)17-12(20)8-14-11(18(17)21)4-3-7-22-14/h3-9,19,27H,1-2H3/b25-10+.
What are the key properties of (5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol?
(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol has a molecular weight of 383.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol is sourced from PubChem (CID 50991633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).