3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole

C22H18F2N6O — CID 156838962

IUPAC3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
SMILESCc1nn(C)c(C)c1-c1nc2ccn(Cc3cc(-c4cc(F)ccc4F)no3)cc-2n1
InChIInChI=1S/C22H18F2N6O/c1-12-21(13(2)29(3)27-12)22-25-18-6-7-30(11-20(18)26-22)10-15-9-19(28-31-15)16-8-14(23)4-5-17(16)24/h4-9,11H,10H2,1-3H3
InChIKeyNXTQYSQBLARGPL-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.38
Rot. Bonds4

About 3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole

3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole (PubChem CID 156838962) has the molecular formula C22H18F2N6O and a molecular weight of 420.42 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
PubChem CID156838962
Molecular FormulaC22H18F2N6O
Molecular Weight420.42 g/mol
Exact Mass420.15
IUPAC Name3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
SMILESCc1nn(C)c(C)c1-c1nc2ccn(Cc3cc(-c4cc(F)ccc4F)no3)cc-2n1
InChIInChI=1S/C22H18F2N6O/c1-12-21(13(2)29(3)27-12)22-25-18-6-7-30(11-20(18)26-22)10-15-9-19(28-31-15)16-8-14(23)4-5-17(16)24/h4-9,11H,10H2,1-3H3
InChIKeyNXTQYSQBLARGPL-UHFFFAOYSA-N
XLogP4.38
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 90446095
US11098041, Example 144
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1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67388111
4-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
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1,3-dipropyl-8-(1-((5-(4-(trifluoromethyl)phenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole (CID 156838962) is 3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole is Cc1nn(C)c(C)c1-c1nc2ccn(Cc3cc(-c4cc(F)ccc4F)no3)cc-2n1.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The InChIKey is NXTQYSQBLARGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O/c1-12-21(13(2)29(3)27-12)22-25-18-6-7-30(11-20(18)26-22)10-15-9-19(28-31-15)16-8-14(23)4-5-17(16)24/h4-9,11H,10H2,1-3H3.
What are the key properties of 3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole has a molecular weight of 420.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 156838962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).