1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea

C26H24FN7O2 — CID 171799296

IUPAC1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2cnc3c(C)cc(-c4nncn4-c4ccc(F)c(OC)c4)cn23)cc1
InChIInChI=1S/C26H24FN7O2/c1-4-28-26(35)31-19-7-5-17(6-8-19)22-13-29-24-16(2)11-18(14-33(22)24)25-32-30-15-34(25)20-9-10-21(27)23(12-20)36-3/h5-15H,4H2,1-3H3,(H2,28,31,35)
InChIKeyOWUWPBPHMDYFNP-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.85
Rot. Bonds6

About 1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea

1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea (PubChem CID 171799296) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is 1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea
PubChem CID171799296
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC Name1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2cnc3c(C)cc(-c4nncn4-c4ccc(F)c(OC)c4)cn23)cc1
InChIInChI=1S/C26H24FN7O2/c1-4-28-26(35)31-19-7-5-17(6-8-19)22-13-29-24-16(2)11-18(14-33(22)24)25-32-30-15-34(25)20-9-10-21(27)23(12-20)36-3/h5-15H,4H2,1-3H3,(H2,28,31,35)
InChIKeyOWUWPBPHMDYFNP-UHFFFAOYSA-N
XLogP4.85
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea with MolForge

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Related Compounds

3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine
CID 171799415
1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974535
2-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)acetamide
CID 114839640
N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 70817887
1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881846
[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 175569668
1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64781275
1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea
CID 72880547
ethyl 1-(4-fluoro-3-methoxyphenyl)triazole-4-carboxylate
CID 122241254
N,1-bis(3,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 155814846
N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 70818019
1-(2,3-difluoro-4-methoxyphenyl)-3-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
CID 174621514

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea (CID 171799296) is 1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea is CCNC(=O)Nc1ccc(-c2cnc3c(C)cc(-c4nncn4-c4ccc(F)c(OC)c4)cn23)cc1.
What is the InChIKey of 1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The InChIKey is OWUWPBPHMDYFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-4-28-26(35)31-19-7-5-17(6-8-19)22-13-29-24-16(2)11-18(14-33(22)24)25-32-30-15-34(25)20-9-10-21(27)23(12-20)36-3/h5-15H,4H2,1-3H3,(H2,28,31,35).
What are the key properties of 1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea?
1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea has a molecular weight of 485.52 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[6-[4-(4-fluoro-3-methoxyphenyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 171799296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).