(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol

C15H10ClF2N5O — CID 58190595

IUPAC(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol
SMILESCn1ncc2c(F)c(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21
InChIInChI=1S/C15H10ClF2N5O/c1-22-9-4-8(17)13(14(18)7(9)5-20-22)15(24)10-6-19-12-3-2-11(16)21-23(10)12/h2-6,15,24H,1H3
InChIKeyBHHPIBHZGPORFW-UHFFFAOYSA-N
MW349.73 g/mol
LogP2.63
Rot. Bonds2

About (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol

(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol (PubChem CID 58190595) has the molecular formula C15H10ClF2N5O and a molecular weight of 349.73 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol
PubChem CID58190595
Molecular FormulaC15H10ClF2N5O
Molecular Weight349.73 g/mol
Exact Mass349.05
IUPAC Name(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol
SMILESCn1ncc2c(F)c(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21
InChIInChI=1S/C15H10ClF2N5O/c1-22-9-4-8(17)13(14(18)7(9)5-20-22)15(24)10-6-19-12-3-2-11(16)21-23(10)12/h2-6,15,24H,1H3
InChIKeyBHHPIBHZGPORFW-UHFFFAOYSA-N
XLogP2.63
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.73
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol?
The IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol (CID 58190595) is (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol.
What is the SMILES notation for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol?
The canonical SMILES for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol is Cn1ncc2c(F)c(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21.
What is the InChIKey of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol?
The InChIKey is BHHPIBHZGPORFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N5O/c1-22-9-4-8(17)13(14(18)7(9)5-20-22)15(24)10-6-19-12-3-2-11(16)21-23(10)12/h2-6,15,24H,1H3.
What are the key properties of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol?
(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol has a molecular weight of 349.73 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4,6-difluoro-1-methylindazol-5-yl)methanol is sourced from PubChem (CID 58190595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).