6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine

C17H18ClN3O2 — CID 3201357

IUPAC6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOCCNc1c(-c2ccc(OC)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H18ClN3O2/c1-22-10-9-19-17-16(12-3-6-14(23-2)7-4-12)20-15-8-5-13(18)11-21(15)17/h3-8,11,19H,9-10H2,1-2H3
InChIKeyXECPLCNYDKBKPP-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.72
Rot. Bonds6

About 6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine

6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 3201357) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID3201357
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOCCNc1c(-c2ccc(OC)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H18ClN3O2/c1-22-10-9-19-17-16(12-3-6-14(23-2)7-4-12)20-15-8-5-13(18)11-21(15)17/h3-8,11,19H,9-10H2,1-2H3
InChIKeyXECPLCNYDKBKPP-UHFFFAOYSA-N
XLogP3.72
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine (CID 3201357) is 6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine is COCCNc1c(-c2ccc(OC)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is XECPLCNYDKBKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-22-10-9-19-17-16(12-3-6-14(23-2)7-4-12)20-15-8-5-13(18)11-21(15)17/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of 6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 331.80 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3201357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).