1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea

C20H18N6O2 — CID 86566940

IUPAC1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)cc2)c1
InChIInChI=1S/C20H18N6O2/c1-28-16-5-2-4-15(12-16)23-20(27)22-14-9-7-13(8-10-14)17-6-3-11-26-18(17)19(21)24-25-26/h2-12H,21H2,1H3,(H2,22,23,27)
InChIKeyDXOFAFCVROPOCY-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.63
Rot. Bonds4

About 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea

1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 86566940) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea
PubChem CID86566940
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)cc2)c1
InChIInChI=1S/C20H18N6O2/c1-28-16-5-2-4-15(12-16)23-20(27)22-14-9-7-13(8-10-14)17-6-3-11-26-18(17)19(21)24-25-26/h2-12H,21H2,1H3,(H2,22,23,27)
InChIKeyDXOFAFCVROPOCY-UHFFFAOYSA-N
XLogP3.63
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 158914768
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea
CID 159651009
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(3-methoxyphenyl)urea
CID 108873285
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 53204450
1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 92612776
1-(3-methoxyphenyl)-3-[(1-methylpyrrol-2-yl)methylideneamino]urea
CID 3088717
1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 121089854

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea (CID 86566940) is 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is DXOFAFCVROPOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-28-16-5-2-4-15(12-16)23-20(27)22-14-9-7-13(8-10-14)17-6-3-11-26-18(17)19(21)24-25-26/h2-12H,21H2,1H3,(H2,22,23,27).
What are the key properties of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea?
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 374.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 86566940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).