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

C23H28ClN5O2 — CID 41232227

IUPACN-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21
InChIInChI=1S/C23H28ClN5O2/c24-19-9-6-18(7-10-19)15-28-16-26-22-20(23(28)31)14-27-29(22)13-12-25-21(30)11-8-17-4-2-1-3-5-17/h6-7,9-10,14,16-17H,1-5,8,11-13,15H2,(H,25,30)
InChIKeyMEBIWRCMHAJJKF-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.77
Rot. Bonds8

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

N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide (PubChem CID 41232227) has the molecular formula C23H28ClN5O2 and a molecular weight of 441.96 g/mol. Its IUPAC name is N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide
PubChem CID41232227
Molecular FormulaC23H28ClN5O2
Molecular Weight441.96 g/mol
Exact Mass441.19
IUPAC NameN-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21
InChIInChI=1S/C23H28ClN5O2/c24-19-9-6-18(7-10-19)15-28-16-26-22-20(23(28)31)14-27-29(22)13-12-25-21(30)11-8-17-4-2-1-3-5-17/h6-7,9-10,14,16-17H,1-5,8,11-13,15H2,(H,25,30)
InChIKeyMEBIWRCMHAJJKF-UHFFFAOYSA-N
XLogP3.77
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclohexanecarboxamide
CID 41232209
2-cyclopentyl-N-[2-[5-[(4-nitrophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 42391683
N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 41232649
N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 41232246
2-(4-chlorophenyl)-N-[2-[5-(naphthalen-1-ylmethyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 40908716
2-(4-chlorophenyl)-N-[2-[5-[(3-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 40908342
2-(4-chlorophenyl)-N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 42391895
5-[(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7422939
2,2-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide
CID 40908390
N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 41231661
3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 27545812
2,4-dichloro-N-[2-[5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 42391446

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide (CID 41232227) is N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21.
What is the InChIKey of N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide?
The InChIKey is MEBIWRCMHAJJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2/c24-19-9-6-18(7-10-19)15-28-16-26-22-20(23(28)31)14-27-29(22)13-12-25-21(30)11-8-17-4-2-1-3-5-17/h6-7,9-10,14,16-17H,1-5,8,11-13,15H2,(H,25,30).
What are the key properties of N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide?
N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide has a molecular weight of 441.96 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 41232227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).