N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine

C17H18N4O3 — CID 170913656

IUPACN-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(-c2nc3ccccn3c2NC2CCCCC2)o1
InChIInChI=1S/C17H18N4O3/c22-21(23)15-10-9-13(24-15)16-17(18-12-6-2-1-3-7-12)20-11-5-4-8-14(20)19-16/h4-5,8-12,18H,1-3,6-7H2
InChIKeyFKLHSLXFTQBPNO-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.25
Rot. Bonds4

About N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine

N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 170913656) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID170913656
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(-c2nc3ccccn3c2NC2CCCCC2)o1
InChIInChI=1S/C17H18N4O3/c22-21(23)15-10-9-13(24-15)16-17(18-12-6-2-1-3-7-12)20-11-5-4-8-14(20)19-16/h4-5,8-12,18H,1-3,6-7H2
InChIKeyFKLHSLXFTQBPNO-UHFFFAOYSA-N
XLogP4.25
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 69339113
N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
CID 139222504
4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 861692
N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-a]pyridin-3-amine
CID 45377010
4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 45255135
N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
CID 4217109
2-(3-chloro-2-fluorophenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine
CID 45255360
5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 143959387
4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 861991
N-cyclohexyl-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-amine
CID 4038811
N-cyclopentyl-2-(4-methoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-amine
CID 162644842
3-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one
CID 1433253

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 170913656) is N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine is O=[N+]([O-])c1ccc(-c2nc3ccccn3c2NC2CCCCC2)o1.
What is the InChIKey of N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is FKLHSLXFTQBPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-21(23)15-10-9-13(24-15)16-17(18-12-6-2-1-3-7-12)20-11-5-4-8-14(20)19-16/h4-5,8-12,18H,1-3,6-7H2.
What are the key properties of N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 326.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 170913656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).