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

C27H28F2N6O3 — CID 71280912

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(CCN3CCOCC3)cn12
InChIInChI=1S/C27H28F2N6O3/c1-17-2-4-19(24-32-26(38-33-24)20-13-27(28,29)14-20)12-21(17)31-25(36)22-15-30-23-5-3-18(16-35(22)23)6-7-34-8-10-37-11-9-34/h2-5,12,15-16,20H,6-11,13-14H2,1H3,(H,31,36)
InChIKeyRWFRRCZOXFUFBX-UHFFFAOYSA-N
MW522.56 g/mol
LogP4.33
Rot. Bonds7

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

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280912) has the molecular formula C27H28F2N6O3 and a molecular weight of 522.56 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280912
Molecular FormulaC27H28F2N6O3
Molecular Weight522.56 g/mol
Exact Mass522.22
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(CCN3CCOCC3)cn12
InChIInChI=1S/C27H28F2N6O3/c1-17-2-4-19(24-32-26(38-33-24)20-13-27(28,29)14-20)12-21(17)31-25(36)22-15-30-23-5-3-18(16-35(22)23)6-7-34-8-10-37-11-9-34/h2-5,12,15-16,20H,6-11,13-14H2,1H3,(H,31,36)
InChIKeyRWFRRCZOXFUFBX-UHFFFAOYSA-N
XLogP4.33
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71280912) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(CCN3CCOCC3)cn12.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RWFRRCZOXFUFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O3/c1-17-2-4-19(24-32-26(38-33-24)20-13-27(28,29)14-20)12-21(17)31-25(36)22-15-30-23-5-3-18(16-35(22)23)6-7-34-8-10-37-11-9-34/h2-5,12,15-16,20H,6-11,13-14H2,1H3,(H,31,36).
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 522.56 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).