N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide

C22H22FN5O — CID 163754139

IUPACN-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide
SMILESCc1cc(-c2nc3n(c2-c2ccnc(NC(=O)C(C)C)c2)N=CCC3)ccc1F
InChIInChI=1S/C22H22FN5O/c1-13(2)22(29)26-18-12-16(8-10-24-18)21-20(15-6-7-17(23)14(3)11-15)27-19-5-4-9-25-28(19)21/h6-13H,4-5H2,1-3H3,(H,24,26,29)
InChIKeyLSOFCBOCBAZRTN-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.43
Rot. Bonds4

About N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide

N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide (PubChem CID 163754139) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide
PubChem CID163754139
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC NameN-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide
SMILESCc1cc(-c2nc3n(c2-c2ccnc(NC(=O)C(C)C)c2)N=CCC3)ccc1F
InChIInChI=1S/C22H22FN5O/c1-13(2)22(29)26-18-12-16(8-10-24-18)21-20(15-6-7-17(23)14(3)11-15)27-19-5-4-9-25-28(19)21/h6-13H,4-5H2,1-3H3,(H,24,26,29)
InChIKeyLSOFCBOCBAZRTN-UHFFFAOYSA-N
XLogP4.43
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cbs-3595
CID 11639342
4-(2-Fluorophenyl)-12-(pyridin-4-ylmethyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 9976743
N-[6-(2-fluorophenyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071901
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propionamide
CID 44444862
Cyclopropanecarboxylic acid {4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444863
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}butyramide
CID 44444864
Cyclobutanecarboxylic acid {4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444865
Pentanoic acid {4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444866
Cyclopentanecarboxylic acid{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444867
n-[6-(2-Fluorophenyl)-5-(3-fluoropyridin-4-yl)pyrazin-2-yl]cyclopropane-carboxamide
CID 53324032
2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134134596
2-[5-(3-methylphenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134141231

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide (CID 163754139) is N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide is Cc1cc(-c2nc3n(c2-c2ccnc(NC(=O)C(C)C)c2)N=CCC3)ccc1F.
What is the InChIKey of N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide?
The InChIKey is LSOFCBOCBAZRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-13(2)22(29)26-18-12-16(8-10-24-18)21-20(15-6-7-17(23)14(3)11-15)27-19-5-4-9-25-28(19)21/h6-13H,4-5H2,1-3H3,(H,24,26,29).
What are the key properties of N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide?
N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide has a molecular weight of 391.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 163754139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).