8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide

C25H18F2N4O2 — CID 118144965

IUPAC8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C25H18F2N4O2/c1-15-23(25(32)30-21-10-3-9-20-16(21)6-4-12-28-20)31-13-5-11-22(24(31)29-15)33-14-17-18(26)7-2-8-19(17)27/h2-13H,14H2,1H3,(H,30,32)
InChIKeyNJBVTLYBLFHGMM-UHFFFAOYSA-N
MW444.44 g/mol
LogP5.30
Rot. Bonds5

About 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118144965) has the molecular formula C25H18F2N4O2 and a molecular weight of 444.44 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118144965
Molecular FormulaC25H18F2N4O2
Molecular Weight444.44 g/mol
Exact Mass444.14
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C25H18F2N4O2/c1-15-23(25(32)30-21-10-3-9-20-16(21)6-4-12-28-20)31-13-5-11-22(24(31)29-15)33-14-17-18(26)7-2-8-19(17)27/h2-13H,14H2,1H3,(H,30,32)
InChIKeyNJBVTLYBLFHGMM-UHFFFAOYSA-N
XLogP5.30
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 118144965) is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NJBVTLYBLFHGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4O2/c1-15-23(25(32)30-21-10-3-9-20-16(21)6-4-12-28-20)31-13-5-11-22(24(31)29-15)33-14-17-18(26)7-2-8-19(17)27/h2-13H,14H2,1H3,(H,30,32).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 444.44 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-quinolin-5-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118144965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).