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

C22H18FN7O2 — CID 118875233

IUPACN-[4-fluoro-3-[6-(1-methylpyrazol-3-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(-c5ccn(C)n5)cnc4n3)c2)o1
InChIInChI=1S/C22H18FN7O2/c1-12-20(32-13(2)25-12)21(31)26-15-4-5-17(23)16(8-15)19-11-30-10-14(9-24-22(30)27-19)18-6-7-29(3)28-18/h4-11H,1-3H3,(H,26,31)
InChIKeyZZIGNJNDWIBIQI-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.79
Rot. Bonds4

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

N-[4-fluoro-3-[6-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 118875233) has the molecular formula C22H18FN7O2 and a molecular weight of 431.43 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID118875233
Molecular FormulaC22H18FN7O2
Molecular Weight431.43 g/mol
Exact Mass431.15
IUPAC NameN-[4-fluoro-3-[6-(1-methylpyrazol-3-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(-c5ccn(C)n5)cnc4n3)c2)o1
InChIInChI=1S/C22H18FN7O2/c1-12-20(32-13(2)25-12)21(31)26-15-4-5-17(23)16(8-15)19-11-30-10-14(9-24-22(30)27-19)18-6-7-29(3)28-18/h4-11H,1-3H3,(H,26,31)
InChIKeyZZIGNJNDWIBIQI-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

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 118875233) is N-[4-fluoro-3-[6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-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-(1-methylpyrazol-3-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(-c5ccn(C)n5)cnc4n3)c2)o1.
What is the InChIKey of N-[4-fluoro-3-[6-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is ZZIGNJNDWIBIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O2/c1-12-20(32-13(2)25-12)21(31)26-15-4-5-17(23)16(8-15)19-11-30-10-14(9-24-22(30)27-19)18-6-7-29(3)28-18/h4-11H,1-3H3,(H,26,31).
What are the key properties of N-[4-fluoro-3-[6-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[4-fluoro-3-[6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118875233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).