1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea

C26H19F2N5O2 — CID 174621514

IUPAC1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2)c(F)c1F
InChIInChI=1S/C26H19F2N5O2/c1-35-22-7-6-20(24(27)25(22)28)32-26(34)31-19-4-2-17(3-5-19)21-15-30-23-14-18(10-13-33(21)23)16-8-11-29-12-9-16/h2-15H,1H3,(H2,31,32,34)
InChIKeyNBUBTUWHYCPCAY-UHFFFAOYSA-N
MW471.47 g/mol
LogP5.99
Rot. Bonds5

About 1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea

1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea (PubChem CID 174621514) has the molecular formula C26H19F2N5O2 and a molecular weight of 471.47 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
PubChem CID174621514
Molecular FormulaC26H19F2N5O2
Molecular Weight471.47 g/mol
Exact Mass471.15
IUPAC Name1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2)c(F)c1F
InChIInChI=1S/C26H19F2N5O2/c1-35-22-7-6-20(24(27)25(22)28)32-26(34)31-19-4-2-17(3-5-19)21-15-30-23-14-18(10-13-33(21)23)16-8-11-29-12-9-16/h2-15H,1H3,(H2,31,32,34)
InChIKeyNBUBTUWHYCPCAY-UHFFFAOYSA-N
XLogP5.99
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.47
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
The IUPAC name of 1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea (CID 174621514) is 1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea is COc1ccc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
The InChIKey is NBUBTUWHYCPCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O2/c1-35-22-7-6-20(24(27)25(22)28)32-26(34)31-19-4-2-17(3-5-19)21-15-30-23-14-18(10-13-33(21)23)16-8-11-29-12-9-16/h2-15H,1H3,(H2,31,32,34).
What are the key properties of 1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea has a molecular weight of 471.47 g/mol, XLogP of 5.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea is sourced from PubChem (CID 174621514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).