2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide

C19H22ClN5O2 — CID 654322

IUPAC2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)C(C)C
InChIInChI=1S/C19H22ClN5O2/c1-12(2)24(13(3)4)17(26)10-23-11-21-18-14(19(23)27)9-22-25(18)16-8-6-5-7-15(16)20/h5-9,11-13H,10H2,1-4H3
InChIKeyRXUVHLXQOWOGBD-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.88
Rot. Bonds5

About 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide

2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 654322) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID654322
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)C(C)C
InChIInChI=1S/C19H22ClN5O2/c1-12(2)24(13(3)4)17(26)10-23-11-21-18-14(19(23)27)9-22-25(18)16-8-6-5-7-15(16)20/h5-9,11-13H,10H2,1-4H3
InChIKeyRXUVHLXQOWOGBD-UHFFFAOYSA-N
XLogP2.88
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide (CID 654322) is 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)C(C)C.
What is the InChIKey of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is RXUVHLXQOWOGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-12(2)24(13(3)4)17(26)10-23-11-21-18-14(19(23)27)9-22-25(18)16-8-6-5-7-15(16)20/h5-9,11-13H,10H2,1-4H3.
What are the key properties of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide?
2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 387.87 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 654322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).