1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea

C24H21F3N4O3 — CID 174536267

IUPAC1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea
SMILESCOc1cc(OC)c(C(F)(F)F)cc1NC(=O)Nc1cccc2c1cc(C)n2-c1ccncc1
InChIInChI=1S/C24H21F3N4O3/c1-14-11-16-18(5-4-6-20(16)31(14)15-7-9-28-10-8-15)29-23(32)30-19-12-17(24(25,26)27)21(33-2)13-22(19)34-3/h4-13H,1-3H3,(H2,29,30,32)
InChIKeyUCHBYHRPGLUBBR-UHFFFAOYSA-N
MW470.45 g/mol
LogP6.01
Rot. Bonds5

About 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea

1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea (PubChem CID 174536267) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea.

Molecular Properties

Compound Name1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea
PubChem CID174536267
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC Name1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea
SMILESCOc1cc(OC)c(C(F)(F)F)cc1NC(=O)Nc1cccc2c1cc(C)n2-c1ccncc1
InChIInChI=1S/C24H21F3N4O3/c1-14-11-16-18(5-4-6-20(16)31(14)15-7-9-28-10-8-15)29-23(32)30-19-12-17(24(25,26)27)21(33-2)13-22(19)34-3/h4-13H,1-3H3,(H2,29,30,32)
InChIKeyUCHBYHRPGLUBBR-UHFFFAOYSA-N
XLogP6.01
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 174536266
1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea
CID 11612749
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylbenzimidazol-4-yl)urea
CID 15604339
1-[1-[(2-amino-4-pyridinyl)methyl]indol-4-yl]-3-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]urea
CID 11627218
1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(1-methyl-1,3-thiazol-1-ium-2-yl)urea
CID 162540870
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[1-[(3-methyl-4-pyridinyl)methyl]indol-4-yl]urea
CID 162541440
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)-2-(trifluoromethyl)phenyl]urea
CID 11511958
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 23512067
1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea
CID 11555014
1-(1,5-dimethylpyrazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813241
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea?
The IUPAC name of 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea (CID 174536267) is 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea.
What is the SMILES notation for 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea?
The canonical SMILES for 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea is COc1cc(OC)c(C(F)(F)F)cc1NC(=O)Nc1cccc2c1cc(C)n2-c1ccncc1.
What is the InChIKey of 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea?
The InChIKey is UCHBYHRPGLUBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-14-11-16-18(5-4-6-20(16)31(14)15-7-9-28-10-8-15)29-23(32)30-19-12-17(24(25,26)27)21(33-2)13-22(19)34-3/h4-13H,1-3H3,(H2,29,30,32).
What are the key properties of 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea?
1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea has a molecular weight of 470.45 g/mol, XLogP of 6.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea is sourced from PubChem (CID 174536267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).