N-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole

C25H23FN6O2 — CID 144718030

IUPACN-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole
SMILESCc1cccc(-c2cnc3nc(-c4cc(NC=O)ccc4F)cn3c2)n1.Cc1nc(C)c(C)o1
InChIInChI=1S/C19H14FN5O.C6H9NO/c1-12-3-2-4-17(23-12)13-8-21-19-24-18(10-25(19)9-13)15-7-14(22-11-26)5-6-16(15)20;1-4-5(2)8-6(3)7-4/h2-11H,1H3,(H,22,26);1-3H3
InChIKeyGFHUKZIZHDMUKF-UHFFFAOYSA-N
MW458.50 g/mol
LogP5.07
Rot. Bonds4

About N-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole

N-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole (PubChem CID 144718030) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole.

Molecular Properties

Compound NameN-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole
PubChem CID144718030
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC NameN-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole
SMILESCc1cccc(-c2cnc3nc(-c4cc(NC=O)ccc4F)cn3c2)n1.Cc1nc(C)c(C)o1
InChIInChI=1S/C19H14FN5O.C6H9NO/c1-12-3-2-4-17(23-12)13-8-21-19-24-18(10-25(19)9-13)15-7-14(22-11-26)5-6-16(15)20;1-4-5(2)8-6(3)7-4/h2-11H,1H3,(H,22,26);1-3H3
InChIKeyGFHUKZIZHDMUKF-UHFFFAOYSA-N
XLogP5.07
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 71657125
4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335021
4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335025
N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 155514062
p38 Kinase inhibitor 7
CID 11338778
p38 Kinase inhibitor 8
CID 11407497
p38 MAP Kinase-IN-1
CID 11417587
1-[3-[7-(5-Ethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68170033
US11814384, Example 184
CID 169077565
US11814384, Example 183
CID 169077632
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 49830403
US10981911, Example 183
CID 135142663

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole?
The IUPAC name of N-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole (CID 144718030) is N-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole.
What is the SMILES notation for N-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole?
The canonical SMILES for N-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole is Cc1cccc(-c2cnc3nc(-c4cc(NC=O)ccc4F)cn3c2)n1.Cc1nc(C)c(C)o1.
What is the InChIKey of N-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole?
The InChIKey is GFHUKZIZHDMUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O.C6H9NO/c1-12-3-2-4-17(23-12)13-8-21-19-24-18(10-25(19)9-13)15-7-14(22-11-26)5-6-16(15)20;1-4-5(2)8-6(3)7-4/h2-11H,1H3,(H,22,26);1-3H3.
What are the key properties of N-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole?
N-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole has a molecular weight of 458.50 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[6-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]formamide;2,4,5-trimethyl-1,3-oxazole is sourced from PubChem (CID 144718030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).