6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide

C18H18FN5O — CID 56942453

IUPAC6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C18H18FN5O/c1-20-18(25)15-11-21-16-7-8-17(22-24(15)16)23-9-3-6-14(23)12-4-2-5-13(19)10-12/h2,4-5,7-8,10-11,14H,3,6,9H2,1H3,(H,20,25)/t14-/m1/s1
InChIKeyYTCBBHQEAOMYKY-CQSZACIVSA-N
MW339.37 g/mol
LogP2.57
Rot. Bonds3

About 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 56942453) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID56942453
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C18H18FN5O/c1-20-18(25)15-11-21-16-7-8-17(22-24(15)16)23-9-3-6-14(23)12-4-2-5-13(19)10-12/h2,4-5,7-8,10-11,14H,3,6,9H2,1H3,(H,20,25)/t14-/m1/s1
InChIKeyYTCBBHQEAOMYKY-CQSZACIVSA-N
XLogP2.57
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide (CID 56942453) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide is CNC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12.
What is the InChIKey of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is YTCBBHQEAOMYKY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-20-18(25)15-11-21-16-7-8-17(22-24(15)16)23-9-3-6-14(23)12-4-2-5-13(19)10-12/h2,4-5,7-8,10-11,14H,3,6,9H2,1H3,(H,20,25)/t14-/m1/s1.
What are the key properties of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide?
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 56942453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).