8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C24H20F3N3O3 — CID 90090866

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@H](CO)c1cccc(F)c1
InChIInChI=1S/C24H20F3N3O3/c1-14-22(24(32)29-20(12-31)15-5-2-6-16(25)11-15)30-10-4-9-21(23(30)28-14)33-13-17-18(26)7-3-8-19(17)27/h2-11,20,31H,12-13H2,1H3,(H,29,32)/t20-/m0/s1
InChIKeyPGYLSQRMZTVIJQ-FQEVSTJZSA-N
MW455.44 g/mol
LogP4.10
Rot. Bonds7

About 8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90090866) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90090866
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@H](CO)c1cccc(F)c1
InChIInChI=1S/C24H20F3N3O3/c1-14-22(24(32)29-20(12-31)15-5-2-6-16(25)11-15)30-10-4-9-21(23(30)28-14)33-13-17-18(26)7-3-8-19(17)27/h2-11,20,31H,12-13H2,1H3,(H,29,32)/t20-/m0/s1
InChIKeyPGYLSQRMZTVIJQ-FQEVSTJZSA-N
XLogP4.10
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90090866) is 8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@H](CO)c1cccc(F)c1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PGYLSQRMZTVIJQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c1-14-22(24(32)29-20(12-31)15-5-2-6-16(25)11-15)30-10-4-9-21(23(30)28-14)33-13-17-18(26)7-3-8-19(17)27/h2-11,20,31H,12-13H2,1H3,(H,29,32)/t20-/m0/s1.
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90090866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).