1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea

C21H19N5O2 — CID 155543492

IUPAC1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(-c2nc3ccc(NC(=O)Nc4ccc(C)cc4)cn3n2)cc1
InChIInChI=1S/C21H19N5O2/c1-14-3-7-16(8-4-14)22-21(27)23-17-9-12-19-24-20(25-26(19)13-17)15-5-10-18(28-2)11-6-15/h3-13H,1-2H3,(H2,22,23,27)
InChIKeyOGBSJZXLCPFOHI-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.36
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea

1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea (PubChem CID 155543492) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea
PubChem CID155543492
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(-c2nc3ccc(NC(=O)Nc4ccc(C)cc4)cn3n2)cc1
InChIInChI=1S/C21H19N5O2/c1-14-3-7-16(8-4-14)22-21(27)23-17-9-12-19-24-20(25-26(19)13-17)15-5-10-18(28-2)11-6-15/h3-13H,1-2H3,(H2,22,23,27)
InChIKeyOGBSJZXLCPFOHI-UHFFFAOYSA-N
XLogP4.36
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 72202474
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
(S)-4-(6-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 76282073
(E)-4-(2-(4-Fluorobenzylidene)hydrazinyl)-1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 9604943
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
7-(2-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 54577892
7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402936
2-[4-[4-[[7-(2-Methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 57403118

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea (CID 155543492) is 1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea is COc1ccc(-c2nc3ccc(NC(=O)Nc4ccc(C)cc4)cn3n2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea?
The InChIKey is OGBSJZXLCPFOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-3-7-16(8-4-14)22-21(27)23-17-9-12-19-24-20(25-26(19)13-17)15-5-10-18(28-2)11-6-15/h3-13H,1-2H3,(H2,22,23,27).
What are the key properties of 1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea?
1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea has a molecular weight of 373.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 155543492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).