2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide

C20H21N7O3 — CID 176939220

IUPAC2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1ccc(NC(=O)Cn2cc(-c3ccn4nc(N)nc4c3)cn2)cc1
InChIInChI=1S/C20H21N7O3/c1-29-8-9-30-17-4-2-16(3-5-17)23-19(28)13-26-12-15(11-22-26)14-6-7-27-18(10-14)24-20(21)25-27/h2-7,10-12H,8-9,13H2,1H3,(H2,21,25)(H,23,28)
InChIKeyZRTSOBHRQXZPAO-UHFFFAOYSA-N
MW407.43 g/mol
LogP1.84
Rot. Bonds8

About 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide

2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide (PubChem CID 176939220) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
PubChem CID176939220
Molecular FormulaC20H21N7O3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1ccc(NC(=O)Cn2cc(-c3ccn4nc(N)nc4c3)cn2)cc1
InChIInChI=1S/C20H21N7O3/c1-29-8-9-30-17-4-2-16(3-5-17)23-19(28)13-26-12-15(11-22-26)14-6-7-27-18(10-14)24-20(21)25-27/h2-7,10-12H,8-9,13H2,1H3,(H2,21,25)(H,23,28)
InChIKeyZRTSOBHRQXZPAO-UHFFFAOYSA-N
XLogP1.84
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 176939316
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(3-cyanophenyl)acetamide
CID 176939231
N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide
CID 176939179
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetaldehyde;N-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]aniline
CID 176939213
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 176939055
2-(4-aminopyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 43445275
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 60911192
7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556371
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide
CID 176939197
2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 55024845
2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 176939108
methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
CID 28638031

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide (CID 176939220) is 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide is COCCOc1ccc(NC(=O)Cn2cc(-c3ccn4nc(N)nc4c3)cn2)cc1.
What is the InChIKey of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The InChIKey is ZRTSOBHRQXZPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3/c1-29-8-9-30-17-4-2-16(3-5-17)23-19(28)13-26-12-15(11-22-26)14-6-7-27-18(10-14)24-20(21)25-27/h2-7,10-12H,8-9,13H2,1H3,(H2,21,25)(H,23,28).
What are the key properties of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide?
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide has a molecular weight of 407.43 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 176939220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).