1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea

C18H12F3N5O3 — CID 155553457

IUPAC1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc2nc(-c3ccoc3)nn2c1
InChIInChI=1S/C18H12F3N5O3/c19-18(20,21)29-14-4-1-12(2-5-14)22-17(27)23-13-3-6-15-24-16(25-26(15)9-13)11-7-8-28-10-11/h1-10H,(H2,22,23,27)
InChIKeyWANKTRBITGWQRH-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.53
Rot. Bonds4

About 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 155553457) has the molecular formula C18H12F3N5O3 and a molecular weight of 403.32 g/mol. Its IUPAC name is 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID155553457
Molecular FormulaC18H12F3N5O3
Molecular Weight403.32 g/mol
Exact Mass403.09
IUPAC Name1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc2nc(-c3ccoc3)nn2c1
InChIInChI=1S/C18H12F3N5O3/c19-18(20,21)29-14-4-1-12(2-5-14)22-17(27)23-13-3-6-15-24-16(25-26(15)9-13)11-7-8-28-10-11/h1-10H,(H2,22,23,27)
InChIKeyWANKTRBITGWQRH-UHFFFAOYSA-N
XLogP4.53
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 155558292
1-(pyridin-4-ylmethyl)-3-[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 164618084
1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122284041
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 46321383
1-(pyridin-4-ylmethyl)-3-[2-[2-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 164617651
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565023
1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2795611
[1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate
CID 90816637
1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 149204916
1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 155553457) is 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc2nc(-c3ccoc3)nn2c1.
What is the InChIKey of 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is WANKTRBITGWQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O3/c19-18(20,21)29-14-4-1-12(2-5-14)22-17(27)23-13-3-6-15-24-16(25-26(15)9-13)11-7-8-28-10-11/h1-10H,(H2,22,23,27).
What are the key properties of 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 403.32 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 155553457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).