2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide

C21H17N9O2 — CID 163322763

IUPAC2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide
SMILESO=C(Cn1cc(COc2ncnc3c2cnn3-c2ccccc2)nn1)Nc1cccnc1
InChIInChI=1S/C21H17N9O2/c31-19(26-15-5-4-8-22-9-15)12-29-11-16(27-28-29)13-32-21-18-10-25-30(20(18)23-14-24-21)17-6-2-1-3-7-17/h1-11,14H,12-13H2,(H,26,31)
InChIKeyIZBAUFBWZTWBBJ-UHFFFAOYSA-N
MW427.43 g/mol
LogP2.02
Rot. Bonds7

About 2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide

2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 163322763) has the molecular formula C21H17N9O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide
PubChem CID163322763
Molecular FormulaC21H17N9O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide
SMILESO=C(Cn1cc(COc2ncnc3c2cnn3-c2ccccc2)nn1)Nc1cccnc1
InChIInChI=1S/C21H17N9O2/c31-19(26-15-5-4-8-22-9-15)12-29-11-16(27-28-29)13-32-21-18-10-25-30(20(18)23-14-24-21)17-6-2-1-3-7-17/h1-11,14H,12-13H2,(H,26,31)
InChIKeyIZBAUFBWZTWBBJ-UHFFFAOYSA-N
XLogP2.02
TPSA125.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 2122954
2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide
CID 112524098
N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 2470090
4-[[1-(4-chloro-2-nitrophenyl)triazol-4-yl]methoxy]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 164517380
7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4803915
4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 2095018
2-[4-[(pyridin-3-ylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458454
N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide
CID 18851865
2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide
CID 162648543
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 4826927
4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]benzonitrile
CID 2478656
2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide
CID 155814179

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide (CID 163322763) is 2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide is O=C(Cn1cc(COc2ncnc3c2cnn3-c2ccccc2)nn1)Nc1cccnc1.
What is the InChIKey of 2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is IZBAUFBWZTWBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9O2/c31-19(26-15-5-4-8-22-9-15)12-29-11-16(27-28-29)13-32-21-18-10-25-30(20(18)23-14-24-21)17-6-2-1-3-7-17/h1-11,14H,12-13H2,(H,26,31).
What are the key properties of 2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide?
2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide has a molecular weight of 427.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 163322763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).