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

C30H30F2N8O3 — CID 71280716

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-c3cnn(CCN4CCOCC4)c3)cn12
InChIInChI=1S/C30H30F2N8O3/c1-19-2-3-20(27-36-29(43-37-27)22-13-30(31,32)14-22)12-24(19)35-28(41)25-16-33-26-5-4-21(18-40(25)26)23-15-34-39(17-23)7-6-38-8-10-42-11-9-38/h2-5,12,15-18,22H,6-11,13-14H2,1H3,(H,35,41)
InChIKeyFGAQHQPHMGQONA-UHFFFAOYSA-N
MW588.62 g/mol
LogP4.65
Rot. Bonds8

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

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280716) has the molecular formula C30H30F2N8O3 and a molecular weight of 588.62 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]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-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280716
Molecular FormulaC30H30F2N8O3
Molecular Weight588.62 g/mol
Exact Mass588.24
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-c3cnn(CCN4CCOCC4)c3)cn12
InChIInChI=1S/C30H30F2N8O3/c1-19-2-3-20(27-36-29(43-37-27)22-13-30(31,32)14-22)12-24(19)35-28(41)25-16-33-26-5-4-21(18-40(25)26)23-15-34-39(17-23)7-6-38-8-10-42-11-9-38/h2-5,12,15-18,22H,6-11,13-14H2,1H3,(H,35,41)
InChIKeyFGAQHQPHMGQONA-UHFFFAOYSA-N
XLogP4.65
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]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-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]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-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71280716) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]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-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]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-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-c3cnn(CCN4CCOCC4)c3)cn12.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FGAQHQPHMGQONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N8O3/c1-19-2-3-20(27-36-29(43-37-27)22-13-30(31,32)14-22)12-24(19)35-28(41)25-16-33-26-5-4-21(18-40(25)26)23-15-34-39(17-23)7-6-38-8-10-42-11-9-38/h2-5,12,15-18,22H,6-11,13-14H2,1H3,(H,35,41).
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 588.62 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 10 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-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).