N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine

C19H22N4O3 — CID 69339113

IUPACN-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(C)n2c(NC3CCCCC3)c(-c3ccc([N+](=O)[O-])o3)nc2c1
InChIInChI=1S/C19H22N4O3/c1-12-10-13(2)22-16(11-12)21-18(15-8-9-17(26-15)23(24)25)19(22)20-14-6-4-3-5-7-14/h8-11,14,20H,3-7H2,1-2H3
InChIKeyHEMLZQBZKAYWFM-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.86
Rot. Bonds4

About N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine

N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 69339113) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID69339113
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(C)n2c(NC3CCCCC3)c(-c3ccc([N+](=O)[O-])o3)nc2c1
InChIInChI=1S/C19H22N4O3/c1-12-10-13(2)22-16(11-12)21-18(15-8-9-17(26-15)23(24)25)19(22)20-14-6-4-3-5-7-14/h8-11,14,20H,3-7H2,1-2H3
InChIKeyHEMLZQBZKAYWFM-UHFFFAOYSA-N
XLogP4.86
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.86
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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 69339113) is N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1cc(C)n2c(NC3CCCCC3)c(-c3ccc([N+](=O)[O-])o3)nc2c1.
What is the InChIKey of N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is HEMLZQBZKAYWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-10-13(2)22-16(11-12)21-18(15-8-9-17(26-15)23(24)25)19(22)20-14-6-4-3-5-7-14/h8-11,14,20H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 354.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5,7-dimethyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 69339113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).