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

C23H19F3N4O — CID 174536266

IUPAC1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc3c2cc(C)n3-c2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C23H19F3N4O/c1-14-6-7-16(13-19(14)23(24,25)26)28-22(31)29-20-4-3-5-21-18(20)12-15(2)30(21)17-8-10-27-11-9-17/h3-13H,1-2H3,(H2,28,29,31)
InChIKeyKBALBBZFIULXDS-UHFFFAOYSA-N
MW424.43 g/mol
LogP6.31
Rot. Bonds3

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

1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea (PubChem CID 174536266) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is 1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
PubChem CID174536266
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc3c2cc(C)n3-c2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C23H19F3N4O/c1-14-6-7-16(13-19(14)23(24,25)26)28-22(31)29-20-4-3-5-21-18(20)12-15(2)30(21)17-8-10-27-11-9-17/h3-13H,1-2H3,(H2,28,29,31)
InChIKeyKBALBBZFIULXDS-UHFFFAOYSA-N
XLogP6.31
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea
CID 174536267
1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 115575822
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylbenzimidazol-4-yl)urea
CID 15604339
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 98000868
1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea
CID 11612749
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
1-(2-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 97161924
1-[5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methylphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 70673707
1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 35521130

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea (CID 174536266) is 1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea is Cc1ccc(NC(=O)Nc2cccc3c2cc(C)n3-c2ccncc2)cc1C(F)(F)F.
What is the InChIKey of 1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea?
The InChIKey is KBALBBZFIULXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c1-14-6-7-16(13-19(14)23(24,25)26)28-22(31)29-20-4-3-5-21-18(20)12-15(2)30(21)17-8-10-27-11-9-17/h3-13H,1-2H3,(H2,28,29,31).
What are the key properties of 1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea?
1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea has a molecular weight of 424.43 g/mol, XLogP of 6.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 174536266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).