2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide

C17H15FN4O — CID 154854058

IUPAC2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2nc(C3CC3)cn2n1
InChIInChI=1S/C17H15FN4O/c18-13-5-1-11(2-6-13)9-19-17(23)14-7-8-16-20-15(12-3-4-12)10-22(16)21-14/h1-2,5-8,10,12H,3-4,9H2,(H,19,23)
InChIKeyICXHILLLYLFUHS-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.68
Rot. Bonds4

About 2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide

2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide (PubChem CID 154854058) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide
PubChem CID154854058
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2nc(C3CC3)cn2n1
InChIInChI=1S/C17H15FN4O/c18-13-5-1-11(2-6-13)9-19-17(23)14-7-8-16-20-15(12-3-4-12)10-22(16)21-14/h1-2,5-8,10,12H,3-4,9H2,(H,19,23)
InChIKeyICXHILLLYLFUHS-UHFFFAOYSA-N
XLogP2.68
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[(2-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide
CID 154854059
N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 170948246
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134796645
N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5308800
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide
CID 134161068
(6R)-N-[(4-fluorophenyl)methyl]-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009766
6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 60858368
2-cyclopentyl-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 146000243
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 119099509
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
3-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 69006617

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide (CID 154854058) is 2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc2nc(C3CC3)cn2n1.
What is the InChIKey of 2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is ICXHILLLYLFUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-13-5-1-11(2-6-13)9-19-17(23)14-7-8-16-20-15(12-3-4-12)10-22(16)21-14/h1-2,5-8,10,12H,3-4,9H2,(H,19,23).
What are the key properties of 2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide?
2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 154854058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).