N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C21H23FN4O2 — CID 126710378

IUPACN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c(C)nc2c1
InChIInChI=1S/C21H23FN4O2/c1-14-5-6-26-19(11-14)24-15(2)20(26)21(27)23-13-16-3-4-18(17(22)12-16)25-7-9-28-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,27)
InChIKeyWBKSVWUDFSPWMC-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.86
Rot. Bonds4

About N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126710378) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126710378
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c(C)nc2c1
InChIInChI=1S/C21H23FN4O2/c1-14-5-6-26-19(11-14)24-15(2)20(26)21(27)23-13-16-3-4-18(17(22)12-16)25-7-9-28-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,27)
InChIKeyWBKSVWUDFSPWMC-UHFFFAOYSA-N
XLogP2.86
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 126710378) is N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c(C)nc2c1.
What is the InChIKey of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WBKSVWUDFSPWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-14-5-6-26-19(11-14)24-15(2)20(26)21(27)23-13-16-3-4-18(17(22)12-16)25-7-9-28-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,27).
What are the key properties of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126710378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).