N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C17H22FN5O — CID 146312363

IUPACN-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc2ccc(N3CCC(F)C3)nn12
InChIInChI=1S/C17H22FN5O/c18-12-8-9-22(11-12)16-7-6-15-19-10-14(23(15)21-16)17(24)20-13-4-2-1-3-5-13/h6-7,10,12-13H,1-5,8-9,11H2,(H,20,24)
InChIKeyVXHKMGJDROPHTF-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.34
Rot. Bonds3

About N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide

N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 146312363) has the molecular formula C17H22FN5O and a molecular weight of 331.39 g/mol. Its IUPAC name is N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID146312363
Molecular FormulaC17H22FN5O
Molecular Weight331.39 g/mol
Exact Mass331.18
IUPAC NameN-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc2ccc(N3CCC(F)C3)nn12
InChIInChI=1S/C17H22FN5O/c18-12-8-9-22(11-12)16-7-6-15-19-10-14(23(15)21-16)17(24)20-13-4-2-1-3-5-13/h6-7,10,12-13H,1-5,8-9,11H2,(H,20,24)
InChIKeyVXHKMGJDROPHTF-UHFFFAOYSA-N
XLogP2.34
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 146312363) is N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NC1CCCCC1)c1cnc2ccc(N3CCC(F)C3)nn12.
What is the InChIKey of N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is VXHKMGJDROPHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c18-12-8-9-22(11-12)16-7-6-15-19-10-14(23(15)21-16)17(24)20-13-4-2-1-3-5-13/h6-7,10,12-13H,1-5,8-9,11H2,(H,20,24).
What are the key properties of N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 146312363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).