6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C21H18FN5O3 — CID 71280203

IUPAC6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(O)C3)n2)cc1NC(=O)c1cnc2ccc(F)cn12
InChIInChI=1S/C21H18FN5O3/c1-11-2-3-12(19-25-21(30-26-19)13-6-15(28)7-13)8-16(11)24-20(29)17-9-23-18-5-4-14(22)10-27(17)18/h2-5,8-10,13,15,28H,6-7H2,1H3,(H,24,29)
InChIKeyGYBSZVNBXDIORM-UHFFFAOYSA-N
MW407.41 g/mol
LogP3.32
Rot. Bonds4

About 6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280203) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is 6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280203
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC Name6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(O)C3)n2)cc1NC(=O)c1cnc2ccc(F)cn12
InChIInChI=1S/C21H18FN5O3/c1-11-2-3-12(19-25-21(30-26-19)13-6-15(28)7-13)8-16(11)24-20(29)17-9-23-18-5-4-14(22)10-27(17)18/h2-5,8-10,13,15,28H,6-7H2,1H3,(H,24,29)
InChIKeyGYBSZVNBXDIORM-UHFFFAOYSA-N
XLogP3.32
TPSA105.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71280203) is 6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(O)C3)n2)cc1NC(=O)c1cnc2ccc(F)cn12.
What is the InChIKey of 6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GYBSZVNBXDIORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-11-2-3-12(19-25-21(30-26-19)13-6-15(28)7-13)8-16(11)24-20(29)17-9-23-18-5-4-14(22)10-27(17)18/h2-5,8-10,13,15,28H,6-7H2,1H3,(H,24,29).
What are the key properties of 6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[5-[5-(3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).