6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C11H11ClFN5O — CID 162733055

IUPAC6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Cl)nn2c(C(=O)N[C@H]3C[C@H]3F)cnc12
InChIInChI=1S/C11H11ClFN5O/c1-14-7-3-9(12)17-18-8(4-15-10(7)18)11(19)16-6-2-5(6)13/h3-6,14H,2H2,1H3,(H,16,19)/t5-,6+/m1/s1
InChIKeyZGHZXRMXYGXMHF-RITPCOANSA-N
MW283.69 g/mol
LogP1.26
Rot. Bonds3

About 6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 162733055) has the molecular formula C11H11ClFN5O and a molecular weight of 283.69 g/mol. Its IUPAC name is 6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID162733055
Molecular FormulaC11H11ClFN5O
Molecular Weight283.69 g/mol
Exact Mass283.06
IUPAC Name6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Cl)nn2c(C(=O)N[C@H]3C[C@H]3F)cnc12
InChIInChI=1S/C11H11ClFN5O/c1-14-7-3-9(12)17-18-8(4-15-10(7)18)11(19)16-6-2-5(6)13/h3-6,14H,2H2,1H3,(H,16,19)/t5-,6+/m1/s1
InChIKeyZGHZXRMXYGXMHF-RITPCOANSA-N
XLogP1.26
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 162733055) is 6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Cl)nn2c(C(=O)N[C@H]3C[C@H]3F)cnc12.
What is the InChIKey of 6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ZGHZXRMXYGXMHF-RITPCOANSA-N. The full InChI is InChI=1S/C11H11ClFN5O/c1-14-7-3-9(12)17-18-8(4-15-10(7)18)11(19)16-6-2-5(6)13/h3-6,14H,2H2,1H3,(H,16,19)/t5-,6+/m1/s1.
What are the key properties of 6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 283.69 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 162733055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).