N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide

C19H18ClN7O2 — CID 27651941

IUPACN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN7O2/c1-3-29-10-17(28)24-16-7-12(2)25-27(16)19-15-9-23-26(18(15)21-11-22-19)14-6-4-5-13(20)8-14/h4-9,11H,3,10H2,1-2H3,(H,24,28)
InChIKeyBOEVPRXBCRFLAA-UHFFFAOYSA-N
MW411.85 g/mol
LogP2.94
Rot. Bonds6

About N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide

N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide (PubChem CID 27651941) has the molecular formula C19H18ClN7O2 and a molecular weight of 411.85 g/mol. Its IUPAC name is N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide
PubChem CID27651941
Molecular FormulaC19H18ClN7O2
Molecular Weight411.85 g/mol
Exact Mass411.12
IUPAC NameN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN7O2/c1-3-29-10-17(28)24-16-7-12(2)25-27(16)19-15-9-23-26(18(15)21-11-22-19)14-6-4-5-13(20)8-14/h4-9,11H,3,10H2,1-2H3,(H,24,28)
InChIKeyBOEVPRXBCRFLAA-UHFFFAOYSA-N
XLogP2.94
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide?
The IUPAC name of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide (CID 27651941) is N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide is CCOCC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1cccc(Cl)c1.
What is the InChIKey of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide?
The InChIKey is BOEVPRXBCRFLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O2/c1-3-29-10-17(28)24-16-7-12(2)25-27(16)19-15-9-23-26(18(15)21-11-22-19)14-6-4-5-13(20)8-14/h4-9,11H,3,10H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide?
N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide has a molecular weight of 411.85 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxyacetamide is sourced from PubChem (CID 27651941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).