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

C26H19F2N5O2 — CID 68621721

IUPAC1-[4-(difluoromethoxy)phenyl]-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)F)cc1)Nc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1
InChIInChI=1S/C26H19F2N5O2/c27-25(28)35-22-7-5-21(6-8-22)32-26(34)31-20-3-1-18(2-4-20)23-16-30-24-15-19(11-14-33(23)24)17-9-12-29-13-10-17/h1-16,25H,(H2,31,32,34)
InChIKeyBJHFLLUVULMXLZ-UHFFFAOYSA-N
MW471.47 g/mol
LogP6.31
Rot. Bonds6

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

1-[4-(difluoromethoxy)phenyl]-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea (PubChem CID 68621721) has the molecular formula C26H19F2N5O2 and a molecular weight of 471.47 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
PubChem CID68621721
Molecular FormulaC26H19F2N5O2
Molecular Weight471.47 g/mol
Exact Mass471.15
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)F)cc1)Nc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1
InChIInChI=1S/C26H19F2N5O2/c27-25(28)35-22-7-5-21(6-8-22)32-26(34)31-20-3-1-18(2-4-20)23-16-30-24-15-19(11-14-33(23)24)17-9-12-29-13-10-17/h1-16,25H,(H2,31,32,34)
InChIKeyBJHFLLUVULMXLZ-UHFFFAOYSA-N
XLogP6.31
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.47
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea (CID 68621721) is 1-[4-(difluoromethoxy)phenyl]-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea is O=C(Nc1ccc(OC(F)F)cc1)Nc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
The InChIKey is BJHFLLUVULMXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O2/c27-25(28)35-22-7-5-21(6-8-22)32-26(34)31-20-3-1-18(2-4-20)23-16-30-24-15-19(11-14-33(23)24)17-9-12-29-13-10-17/h1-16,25H,(H2,31,32,34).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea?
1-[4-(difluoromethoxy)phenyl]-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 6.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea is sourced from PubChem (CID 68621721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).