1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea

C22H20N4O2 — CID 176667605

IUPAC1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea
SMILESCc1cnc(C)c(NC(=O)Nc2cn(-c3ccc(O)cc3)c3ccccc23)c1
InChIInChI=1S/C22H20N4O2/c1-14-11-19(15(2)23-12-14)24-22(28)25-20-13-26(16-7-9-17(27)10-8-16)21-6-4-3-5-18(20)21/h3-13,27H,1-2H3,(H2,24,25,28)
InChIKeySFRXUXQJAXJRMW-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.99
Rot. Bonds3

About 1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea

1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea (PubChem CID 176667605) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea
PubChem CID176667605
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea
SMILESCc1cnc(C)c(NC(=O)Nc2cn(-c3ccc(O)cc3)c3ccccc23)c1
InChIInChI=1S/C22H20N4O2/c1-14-11-19(15(2)23-12-14)24-22(28)25-20-13-26(16-7-9-17(27)10-8-16)21-6-4-3-5-18(20)21/h3-13,27H,1-2H3,(H2,24,25,28)
InChIKeySFRXUXQJAXJRMW-UHFFFAOYSA-N
XLogP4.99
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea?
The IUPAC name of 1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea (CID 176667605) is 1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea.
What is the SMILES notation for 1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea?
The canonical SMILES for 1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea is Cc1cnc(C)c(NC(=O)Nc2cn(-c3ccc(O)cc3)c3ccccc23)c1.
What is the InChIKey of 1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea?
The InChIKey is SFRXUXQJAXJRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-11-19(15(2)23-12-14)24-22(28)25-20-13-26(16-7-9-17(27)10-8-16)21-6-4-3-5-18(20)21/h3-13,27H,1-2H3,(H2,24,25,28).
What are the key properties of 1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea?
1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea has a molecular weight of 372.43 g/mol, XLogP of 4.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-3-pyridinyl)-3-[1-(4-hydroxyphenyl)indol-3-yl]urea is sourced from PubChem (CID 176667605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).