1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea

C22H19BrN4O2 — CID 69498250

IUPAC1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea
SMILESCOc1ccc(Br)cc1NC(=O)Nc1ccc2c(ccn2Cc2cccnc2)c1
InChIInChI=1S/C22H19BrN4O2/c1-29-21-7-4-17(23)12-19(21)26-22(28)25-18-5-6-20-16(11-18)8-10-27(20)14-15-3-2-9-24-13-15/h2-13H,14H2,1H3,(H2,25,26,28)
InChIKeyHULUDHUZWWWMRQ-UHFFFAOYSA-N
MW451.32 g/mol
LogP5.50
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea

1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea (PubChem CID 69498250) has the molecular formula C22H19BrN4O2 and a molecular weight of 451.32 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea
PubChem CID69498250
Molecular FormulaC22H19BrN4O2
Molecular Weight451.32 g/mol
Exact Mass450.07
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea
SMILESCOc1ccc(Br)cc1NC(=O)Nc1ccc2c(ccn2Cc2cccnc2)c1
InChIInChI=1S/C22H19BrN4O2/c1-29-21-7-4-17(23)12-19(21)26-22(28)25-18-5-6-20-16(11-18)8-10-27(20)14-15-3-2-9-24-13-15/h2-13H,14H2,1H3,(H2,25,26,28)
InChIKeyHULUDHUZWWWMRQ-UHFFFAOYSA-N
XLogP5.50
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.32
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea
CID 58703424
1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-4-ylmethyl)indol-5-yl]urea
CID 58703422
1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 47326377
2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 42537123
1-(5-bromo-2-methoxyphenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea
CID 68753327
1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea
CID 47322508
5-methyl-1-(pyridin-3-ylmethyl)indole
CID 116622934
5-bromo-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 116619663
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594
1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 167836219
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine
CID 143262096

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea (CID 69498250) is 1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea is COc1ccc(Br)cc1NC(=O)Nc1ccc2c(ccn2Cc2cccnc2)c1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea?
The InChIKey is HULUDHUZWWWMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O2/c1-29-21-7-4-17(23)12-19(21)26-22(28)25-18-5-6-20-16(11-18)8-10-27(20)14-15-3-2-9-24-13-15/h2-13H,14H2,1H3,(H2,25,26,28).
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea?
1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea has a molecular weight of 451.32 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea is sourced from PubChem (CID 69498250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).