N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide

C24H23FN8O — CID 122510879

IUPACN-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3ncc(C#N)n3n2)C1
InChIInChI=1S/C24H23FN8O/c1-24(2,3)29-23(34)31-12-18(13-31)32-14-28-21(15-4-6-16(25)7-5-15)22(32)19-8-9-20-27-11-17(10-26)33(20)30-19/h4-9,11,14,18H,12-13H2,1-3H3,(H,29,34)
InChIKeyYVLPQHRSYYMYIK-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.64
Rot. Bonds3

About N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide

N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide (PubChem CID 122510879) has the molecular formula C24H23FN8O and a molecular weight of 458.50 g/mol. Its IUPAC name is N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide
PubChem CID122510879
Molecular FormulaC24H23FN8O
Molecular Weight458.50 g/mol
Exact Mass458.20
IUPAC NameN-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3ncc(C#N)n3n2)C1
InChIInChI=1S/C24H23FN8O/c1-24(2,3)29-23(34)31-12-18(13-31)32-14-28-21(15-4-6-16(25)7-5-15)22(32)19-8-9-20-27-11-17(10-26)33(20)30-19/h4-9,11,14,18H,12-13H2,1-3H3,(H,29,34)
InChIKeyYVLPQHRSYYMYIK-UHFFFAOYSA-N
XLogP3.64
TPSA104.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 145149133
6-[5-(4-fluorophenyl)-3-[1-(methoxymethyl)azetidin-3-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 134492260
6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510553
6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510433
6-[5-(4-fluorophenyl)-3-(1-formylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 145149041
1-tert-butyl-3-[[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]urea
CID 122510845
6-[3-(2,2-difluoroethyl)-5-[3-(2-hydroxypropan-2-yl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510505
6-[3-(3,3-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbaldehyde;methanamine
CID 145149134
6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122510893
6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclobutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 146410081
6-[5-(3-cyanophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510729
2-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone
CID 158399483

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide (CID 122510879) is N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide is CC(C)(C)NC(=O)N1CC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3ncc(C#N)n3n2)C1.
What is the InChIKey of N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide?
The InChIKey is YVLPQHRSYYMYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O/c1-24(2,3)29-23(34)31-12-18(13-31)32-14-28-21(15-4-6-16(25)7-5-15)22(32)19-8-9-20-27-11-17(10-26)33(20)30-19/h4-9,11,14,18H,12-13H2,1-3H3,(H,29,34).
What are the key properties of N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide?
N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide has a molecular weight of 458.50 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 122510879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).