N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide

C26H26F2N6O2 — CID 71280734

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(C3CCNCC3)ccn12
InChIInChI=1S/C26H26F2N6O2/c1-15-2-3-18(23-32-25(36-33-23)19-12-26(27,28)13-19)10-20(15)31-24(35)21-14-30-22-11-17(6-9-34(21)22)16-4-7-29-8-5-16/h2-3,6,9-11,14,16,19,29H,4-5,7-8,12-13H2,1H3,(H,31,35)
InChIKeySMXOEIFIDKLKCI-UHFFFAOYSA-N
MW492.53 g/mol
LogP4.92
Rot. Bonds5

About N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280734) has the molecular formula C26H26F2N6O2 and a molecular weight of 492.53 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280734
Molecular FormulaC26H26F2N6O2
Molecular Weight492.53 g/mol
Exact Mass492.21
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(C3CCNCC3)ccn12
InChIInChI=1S/C26H26F2N6O2/c1-15-2-3-18(23-32-25(36-33-23)19-12-26(27,28)13-19)10-20(15)31-24(35)21-14-30-22-11-17(6-9-34(21)22)16-4-7-29-8-5-16/h2-3,6,9-11,14,16,19,29H,4-5,7-8,12-13H2,1H3,(H,31,35)
InChIKeySMXOEIFIDKLKCI-UHFFFAOYSA-N
XLogP4.92
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 71280734) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperidin-4-ylimidazo[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]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(C3CCNCC3)ccn12.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SMXOEIFIDKLKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O2/c1-15-2-3-18(23-32-25(36-33-23)19-12-26(27,28)13-19)10-20(15)31-24(35)21-14-30-22-11-17(6-9-34(21)22)16-4-7-29-8-5-16/h2-3,6,9-11,14,16,19,29H,4-5,7-8,12-13H2,1H3,(H,31,35).
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 492.53 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]-7-piperidin-4-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).