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

C22H19ClN4O2 — CID 58703424

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc2c(ccn2Cc2cccnc2)c1
InChIInChI=1S/C22H19ClN4O2/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)
InChIKeyYYWHXRPXIFRCLS-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.39
Rot. Bonds5

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

1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea (PubChem CID 58703424) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea
PubChem CID58703424
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc2c(ccn2Cc2cccnc2)c1
InChIInChI=1S/C22H19ClN4O2/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)
InChIKeyYYWHXRPXIFRCLS-UHFFFAOYSA-N
XLogP5.39
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]urea
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1-(5-chloro-2-methoxyphenyl)-3-[1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-yl]urea
CID 11591418
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CID 121049745
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1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea
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1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea (CID 58703424) is 1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea is COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(ccn2Cc2cccnc2)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea?
The InChIKey is YYWHXRPXIFRCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/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-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea has a molecular weight of 406.87 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea is sourced from PubChem (CID 58703424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).