N-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C28H28FN3O4 — CID 90091097

IUPACN-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3ccccc3F)cccn2c1C(=O)NC1(c2ccccc2)COC(C)(C)OC1
InChIInChI=1S/C28H28FN3O4/c1-19-24(26(33)31-28(21-11-5-4-6-12-21)17-35-27(2,3)36-18-28)32-15-9-14-23(25(32)30-19)34-16-20-10-7-8-13-22(20)29/h4-15H,16-18H2,1-3H3,(H,31,33)
InChIKeyFKMZPDFAUBLZOD-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.77
Rot. Bonds6

About N-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90091097) has the molecular formula C28H28FN3O4 and a molecular weight of 489.55 g/mol. Its IUPAC name is N-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90091097
Molecular FormulaC28H28FN3O4
Molecular Weight489.55 g/mol
Exact Mass489.21
IUPAC NameN-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3ccccc3F)cccn2c1C(=O)NC1(c2ccccc2)COC(C)(C)OC1
InChIInChI=1S/C28H28FN3O4/c1-19-24(26(33)31-28(21-11-5-4-6-12-21)17-35-27(2,3)36-18-28)32-15-9-14-23(25(32)30-19)34-16-20-10-7-8-13-22(20)29/h4-15H,16-18H2,1-3H3,(H,31,33)
InChIKeyFKMZPDFAUBLZOD-UHFFFAOYSA-N
XLogP4.77
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90091097) is N-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3ccccc3F)cccn2c1C(=O)NC1(c2ccccc2)COC(C)(C)OC1.
What is the InChIKey of N-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FKMZPDFAUBLZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O4/c1-19-24(26(33)31-28(21-11-5-4-6-12-21)17-35-27(2,3)36-18-28)32-15-9-14-23(25(32)30-19)34-16-20-10-7-8-13-22(20)29/h4-15H,16-18H2,1-3H3,(H,31,33).
What are the key properties of N-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 489.55 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-5-phenyl-1,3-dioxan-5-yl)-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90091097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).