N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C22H18FN7O2 — CID 118875238

IUPACN-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(-c5cncn5C)cnc4n3)c2)o1
InChIInChI=1S/C22H18FN7O2/c1-12-20(32-13(2)26-12)21(31)27-15-4-5-17(23)16(6-15)18-10-30-9-14(7-25-22(30)28-18)19-8-24-11-29(19)3/h4-11H,1-3H3,(H,27,31)
InChIKeyWGCGBNDZWACBRK-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.79
Rot. Bonds4

About N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 118875238) has the molecular formula C22H18FN7O2 and a molecular weight of 431.43 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID118875238
Molecular FormulaC22H18FN7O2
Molecular Weight431.43 g/mol
Exact Mass431.15
IUPAC NameN-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(-c5cncn5C)cnc4n3)c2)o1
InChIInChI=1S/C22H18FN7O2/c1-12-20(32-13(2)26-12)21(31)27-15-4-5-17(23)16(6-15)18-10-30-9-14(7-25-22(30)28-18)19-8-24-11-29(19)3/h4-11H,1-3H3,(H,27,31)
InChIKeyWGCGBNDZWACBRK-UHFFFAOYSA-N
XLogP3.79
TPSA103.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

Lxe-408
CID 118162630
4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53466716
Gnf-6702
CID 91810392
N-[3-[6-[3-(difluoromethyl)pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118162655
N-[4-fluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118162711
N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 162672396
2-ethyl-4-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide
CID 90683942
US11814384, Example 183
CID 169077632
N-[3-(6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118162585
2,4-dimethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide
CID 90683914
2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyridin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 90683962
US11098063, Example 50
CID 153475150

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 118875238) is N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(-c5cncn5C)cnc4n3)c2)o1.
What is the InChIKey of N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is WGCGBNDZWACBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O2/c1-12-20(32-13(2)26-12)21(31)27-15-4-5-17(23)16(6-15)18-10-30-9-14(7-25-22(30)28-18)19-8-24-11-29(19)3/h4-11H,1-3H3,(H,27,31).
What are the key properties of N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 431.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118875238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).