6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole

C21H16FN5O — CID 59457839

IUPAC6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
SMILESCC1(c2nnc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cn23)CC1
InChIInChI=1S/C21H16FN5O/c1-21(8-9-21)19-25-24-16-7-4-14(12-27(16)19)18-17(13-2-5-15(22)6-3-13)23-20-26(18)10-11-28-20/h2-7,10-12H,8-9H2,1H3
InChIKeyXBMPPLSRYNODQU-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.49
Rot. Bonds3

About 6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole

6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole (PubChem CID 59457839) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
PubChem CID59457839
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
SMILESCC1(c2nnc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cn23)CC1
InChIInChI=1S/C21H16FN5O/c1-21(8-9-21)19-25-24-16-7-4-14(12-27(16)19)18-17(13-2-5-15(22)6-3-13)23-20-26(18)10-11-28-20/h2-7,10-12H,8-9H2,1H3
InChIKeyXBMPPLSRYNODQU-UHFFFAOYSA-N
XLogP4.49
TPSA60.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US9884868, Example 216''
CID 122510396
3-(1-methyl-5-phenyl-1H-pyrazol-4-yl)-5-propoxy-[1,2,4]triazolo[4,3-a]pyrazine
CID 137636612
3-[5-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-5-propoxy-[1,2,4]triazolo[4,3-a]pyrazine
CID 137638577
5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 162668318
p38 Kinase inhibitor 7
CID 11338778
6-(2,4-Difluorophenyl)-5-(3-isopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b]oxazole
CID 25134688
2-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-ol
CID 25167840
6-(2,4-Difluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
CID 49830800
1-(6-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-methylpropan-2-ol
CID 49830801
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 118538651
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-5-methyl-1,3,4-oxa-diazole-2-carboxamide
CID 118538722
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-1,3-oxazole-4-carboxamide
CID 118538828

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole (CID 59457839) is 6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole is CC1(c2nnc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cn23)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
The InChIKey is XBMPPLSRYNODQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c1-21(8-9-21)19-25-24-16-7-4-14(12-27(16)19)18-17(13-2-5-15(22)6-3-13)23-20-26(18)10-11-28-20/h2-7,10-12H,8-9H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole has a molecular weight of 373.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59457839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).