N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide

C18H20ClN5O3 — CID 42391137

IUPACN-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21
InChIInChI=1S/C18H20ClN5O3/c1-2-27-11-16(25)20-6-7-24-17-15(9-22-24)18(26)23(12-21-17)10-13-4-3-5-14(19)8-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,20,25)
InChIKeyWRXNUQHCKCQKHC-UHFFFAOYSA-N
MW389.84 g/mol
LogP1.45
Rot. Bonds8

About N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide

N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide (PubChem CID 42391137) has the molecular formula C18H20ClN5O3 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide
PubChem CID42391137
Molecular FormulaC18H20ClN5O3
Molecular Weight389.84 g/mol
Exact Mass389.13
IUPAC NameN-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21
InChIInChI=1S/C18H20ClN5O3/c1-2-27-11-16(25)20-6-7-24-17-15(9-22-24)18(26)23(12-21-17)10-13-4-3-5-14(19)8-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,20,25)
InChIKeyWRXNUQHCKCQKHC-UHFFFAOYSA-N
XLogP1.45
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide (CID 42391137) is N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide is CCOCC(=O)NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21.
What is the InChIKey of N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide?
The InChIKey is WRXNUQHCKCQKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3/c1-2-27-11-16(25)20-6-7-24-17-15(9-22-24)18(26)23(12-21-17)10-13-4-3-5-14(19)8-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,20,25).
What are the key properties of N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide?
N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide has a molecular weight of 389.84 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-ethoxyacetamide is sourced from PubChem (CID 42391137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).