cis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide

C10H8ClFN4O — CID 164520601

IUPACcis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cn2nc(Cl)ccc2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C10H8ClFN4O/c11-7-1-2-9-13-8(4-16(9)15-7)14-10(17)5-3-6(5)12/h1-2,4-6H,3H2,(H,14,17)/t5-,6+/m1/s1
InChIKeySYQGMDZFWBYFPF-RITPCOANSA-N
MW254.65 g/mol
LogP1.68
Rot. Bonds2

About cis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520601) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is cis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide
PubChem CID164520601
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Namecis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cn2nc(Cl)ccc2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C10H8ClFN4O/c11-7-1-2-9-13-8(4-16(9)15-7)14-10(17)5-3-6(5)12/h1-2,4-6H,3H2,(H,14,17)/t5-,6+/m1/s1
InChIKeySYQGMDZFWBYFPF-RITPCOANSA-N
XLogP1.68
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide (CID 164520601) is cis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cn2nc(Cl)ccc2n1)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide?
The InChIKey is SYQGMDZFWBYFPF-RITPCOANSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c11-7-1-2-9-13-8(4-16(9)15-7)14-10(17)5-3-6(5)12/h1-2,4-6H,3H2,(H,14,17)/t5-,6+/m1/s1.
What are the key properties of cis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide has a molecular weight of 254.65 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).