2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide

C20H19ClN6O4 — CID 67186519

IUPAC2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide
SMILESCC(C)OCC(Oc1nc(-c2ccccc2Cl)nc2[nH]ncc12)C(=O)Nc1ccon1
InChIInChI=1S/C20H19ClN6O4/c1-11(2)29-10-15(19(28)23-16-7-8-30-27-16)31-20-13-9-22-26-18(13)24-17(25-20)12-5-3-4-6-14(12)21/h3-9,11,15H,10H2,1-2H3,(H,23,27,28)(H,22,24,25,26)
InChIKeyZUGCRDBQRYTICA-UHFFFAOYSA-N
MW442.86 g/mol
LogP3.47
Rot. Bonds8

About 2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide

2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide (PubChem CID 67186519) has the molecular formula C20H19ClN6O4 and a molecular weight of 442.86 g/mol. Its IUPAC name is 2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide.

Molecular Properties

Compound Name2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide
PubChem CID67186519
Molecular FormulaC20H19ClN6O4
Molecular Weight442.86 g/mol
Exact Mass442.12
IUPAC Name2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide
SMILESCC(C)OCC(Oc1nc(-c2ccccc2Cl)nc2[nH]ncc12)C(=O)Nc1ccon1
InChIInChI=1S/C20H19ClN6O4/c1-11(2)29-10-15(19(28)23-16-7-8-30-27-16)31-20-13-9-22-26-18(13)24-17(25-20)12-5-3-4-6-14(12)21/h3-9,11,15H,10H2,1-2H3,(H,23,27,28)(H,22,24,25,26)
InChIKeyZUGCRDBQRYTICA-UHFFFAOYSA-N
XLogP3.47
TPSA128.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.86
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide?
The IUPAC name of 2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide (CID 67186519) is 2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide.
What is the SMILES notation for 2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide?
The canonical SMILES for 2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide is CC(C)OCC(Oc1nc(-c2ccccc2Cl)nc2[nH]ncc12)C(=O)Nc1ccon1.
What is the InChIKey of 2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide?
The InChIKey is ZUGCRDBQRYTICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O4/c1-11(2)29-10-15(19(28)23-16-7-8-30-27-16)31-20-13-9-22-26-18(13)24-17(25-20)12-5-3-4-6-14(12)21/h3-9,11,15H,10H2,1-2H3,(H,23,27,28)(H,22,24,25,26).
What are the key properties of 2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide?
2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide has a molecular weight of 442.86 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide is sourced from PubChem (CID 67186519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).