2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine

C22H17ClN4O4 — CID 25113840

IUPAC2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3c(Cl)cccc3[N+](=O)[O-])c(Nc3ccc4c(c3)OCCO4)n2c1
InChIInChI=1S/C22H17ClN4O4/c1-13-5-8-19-25-21(20-15(23)3-2-4-16(20)27(28)29)22(26(19)12-13)24-14-6-7-17-18(11-14)31-10-9-30-17/h2-8,11-12,24H,9-10H2,1H3
InChIKeyMTLJDYKXBFVKHA-UHFFFAOYSA-N
MW436.86 g/mol
LogP5.39
Rot. Bonds4

About 2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine

2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 25113840) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is 2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID25113840
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC Name2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3c(Cl)cccc3[N+](=O)[O-])c(Nc3ccc4c(c3)OCCO4)n2c1
InChIInChI=1S/C22H17ClN4O4/c1-13-5-8-19-25-21(20-15(23)3-2-4-16(20)27(28)29)22(26(19)12-13)24-14-6-7-17-18(11-14)31-10-9-30-17/h2-8,11-12,24H,9-10H2,1H3
InChIKeyMTLJDYKXBFVKHA-UHFFFAOYSA-N
XLogP5.39
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.86
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine (CID 25113840) is 2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine is Cc1ccc2nc(-c3c(Cl)cccc3[N+](=O)[O-])c(Nc3ccc4c(c3)OCCO4)n2c1.
What is the InChIKey of 2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is MTLJDYKXBFVKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4/c1-13-5-8-19-25-21(20-15(23)3-2-4-16(20)27(28)29)22(26(19)12-13)24-14-6-7-17-18(11-14)31-10-9-30-17/h2-8,11-12,24H,9-10H2,1H3.
What are the key properties of 2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine?
2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 436.86 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 25113840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).