1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea

C20H15ClN4O — CID 46386835

IUPAC1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1c(-c2ccncc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C20H15ClN4O/c21-16-8-4-7-15-18(16)24-17(13-9-11-22-12-10-13)19(15)25-20(26)23-14-5-2-1-3-6-14/h1-12,24H,(H2,23,25,26)
InChIKeyVUCQLIWHXXIGFZ-UHFFFAOYSA-N
MW362.82 g/mol
LogP5.53
Rot. Bonds3

About 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea

1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea (PubChem CID 46386835) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea
PubChem CID46386835
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1c(-c2ccncc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C20H15ClN4O/c21-16-8-4-7-15-18(16)24-17(13-9-11-22-12-10-13)19(15)25-20(26)23-14-5-2-1-3-6-14/h1-12,24H,(H2,23,25,26)
InChIKeyVUCQLIWHXXIGFZ-UHFFFAOYSA-N
XLogP5.53
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea
CID 46386852
1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 46386849
1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea
CID 53054162
1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea
CID 110874471
1-(2-chloro-4-methylphenyl)-3-(5-fluoro-2-pyridin-4-yl-1H-indol-3-yl)urea
CID 46386819
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid
CID 107049046
1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea
CID 166984072
1-(2-iodophenyl)-3-pyridin-4-ylurea
CID 3370542
2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 4262211
1-anthracen-9-yl-3-phenylurea
CID 102213486
1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea
CID 4224094

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea?
The IUPAC name of 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea (CID 46386835) is 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea?
The canonical SMILES for 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1c(-c2ccncc2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea?
The InChIKey is VUCQLIWHXXIGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-16-8-4-7-15-18(16)24-17(13-9-11-22-12-10-13)19(15)25-20(26)23-14-5-2-1-3-6-14/h1-12,24H,(H2,23,25,26).
What are the key properties of 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea?
1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea has a molecular weight of 362.82 g/mol, XLogP of 5.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea is sourced from PubChem (CID 46386835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).