fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide

C25H28FN5O2 — CID 171796193

IUPACfluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide
SMILESCc1ccc(-c2ncon2)cc1NC(=O)c1cnc2n1C=CC(C)(C(C)C)C=C2.FC1CC1
InChIInChI=1S/C22H23N5O2.C3H5F/c1-14(2)22(4)8-7-19-23-12-18(27(19)10-9-22)21(28)25-17-11-16(6-5-15(17)3)20-24-13-29-26-20;4-3-1-2-3/h5-14H,1-4H3,(H,25,28);3H,1-2H2
InChIKeyQDZFIBXQFDZZIC-UHFFFAOYSA-N
MW449.53 g/mol
LogP5.77
Rot. Bonds4

About fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide

fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide (PubChem CID 171796193) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide.

Molecular Properties

Compound Namefluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide
PubChem CID171796193
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC Namefluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide
SMILESCc1ccc(-c2ncon2)cc1NC(=O)c1cnc2n1C=CC(C)(C(C)C)C=C2.FC1CC1
InChIInChI=1S/C22H23N5O2.C3H5F/c1-14(2)22(4)8-7-19-23-12-18(27(19)10-9-22)21(28)25-17-11-16(6-5-15(17)3)20-24-13-29-26-20;4-3-1-2-3/h5-14H,1-4H3,(H,25,28);3H,1-2H2
InChIKeyQDZFIBXQFDZZIC-UHFFFAOYSA-N
XLogP5.77
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyrazine-3-carboxamide
CID 178051715
fluorocyclopropane;N-[3-fluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 169268550
7-(dimethylamino)-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796999
azetidine;N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796634
(7R,8S)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7,8-dihydroxy-7,8-dihydroimidazo[1,2-a]pyridine-3-carboxamide
CID 178051580
N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 178051693
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide
CID 71280380
2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide
CID 171796236
N-[5-[5-[3-(difluoromethyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796958
6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 174292770
fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole
CID 178051213
3-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide
CID 174294984

Frequently Asked Questions

What is the IUPAC name of fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide?
The IUPAC name of fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide (CID 171796193) is fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide.
What is the SMILES notation for fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide?
The canonical SMILES for fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide is Cc1ccc(-c2ncon2)cc1NC(=O)c1cnc2n1C=CC(C)(C(C)C)C=C2.FC1CC1.
What is the InChIKey of fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide?
The InChIKey is QDZFIBXQFDZZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.C3H5F/c1-14(2)22(4)8-7-19-23-12-18(27(19)10-9-22)21(28)25-17-11-16(6-5-15(17)3)20-24-13-29-26-20;4-3-1-2-3/h5-14H,1-4H3,(H,25,28);3H,1-2H2.
What are the key properties of fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide?
fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluorocyclopropane;7-methyl-N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]-7-propan-2-ylimidazo[1,2-a]azepine-3-carboxamide is sourced from PubChem (CID 171796193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).