6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C21H23ClF2N4O3 — CID 90114255

IUPAC6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOCCNCCNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(Cl)cn12
InChIInChI=1S/C21H23ClF2N4O3/c1-13-19(21(29)26-7-6-25-8-9-30-2)28-11-14(22)10-18(20(28)27-13)31-12-15-16(23)4-3-5-17(15)24/h3-5,10-11,25H,6-9,12H2,1-2H3,(H,26,29)
InChIKeyBVRGBVOBSUERGT-UHFFFAOYSA-N
MW452.89 g/mol
LogP3.12
Rot. Bonds10

About 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90114255) has the molecular formula C21H23ClF2N4O3 and a molecular weight of 452.89 g/mol. Its IUPAC name is 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90114255
Molecular FormulaC21H23ClF2N4O3
Molecular Weight452.89 g/mol
Exact Mass452.14
IUPAC Name6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOCCNCCNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(Cl)cn12
InChIInChI=1S/C21H23ClF2N4O3/c1-13-19(21(29)26-7-6-25-8-9-30-2)28-11-14(22)10-18(20(28)27-13)31-12-15-16(23)4-3-5-17(15)24/h3-5,10-11,25H,6-9,12H2,1-2H3,(H,26,29)
InChIKeyBVRGBVOBSUERGT-UHFFFAOYSA-N
XLogP3.12
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.89
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90114255) is 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is COCCNCCNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(Cl)cn12.
What is the InChIKey of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BVRGBVOBSUERGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF2N4O3/c1-13-19(21(29)26-7-6-25-8-9-30-2)28-11-14(22)10-18(20(28)27-13)31-12-15-16(23)4-3-5-17(15)24/h3-5,10-11,25H,6-9,12H2,1-2H3,(H,26,29).
What are the key properties of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 452.89 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[2-(2-methoxyethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90114255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).