N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide

C20H23N5O3 — CID 46570096

IUPACN-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCn1ncc2c(=O)n(CCC(=O)Nc3ccc(OC4CCCC4)cc3)cnc21
InChIInChI=1S/C20H23N5O3/c1-24-19-17(12-22-24)20(27)25(13-21-19)11-10-18(26)23-14-6-8-16(9-7-14)28-15-4-2-3-5-15/h6-9,12-13,15H,2-5,10-11H2,1H3,(H,23,26)
InChIKeyVWSMBULZPFNGNR-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.48
Rot. Bonds6

About N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide

N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide (PubChem CID 46570096) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
PubChem CID46570096
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCn1ncc2c(=O)n(CCC(=O)Nc3ccc(OC4CCCC4)cc3)cnc21
InChIInChI=1S/C20H23N5O3/c1-24-19-17(12-22-24)20(27)25(13-21-19)11-10-18(26)23-14-6-8-16(9-7-14)28-15-4-2-3-5-15/h6-9,12-13,15H,2-5,10-11H2,1H3,(H,23,26)
InChIKeyVWSMBULZPFNGNR-UHFFFAOYSA-N
XLogP2.48
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-phenylpropanamide
CID 17492925
N-(4-acetylphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 25399169
N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 43038624
N-(3-acetamidophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16590618
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 16599002
N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 46467529
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 43039486
N-(4-bromophenyl)-3-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]propanamide
CID 55951076
N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16590379
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 16595195
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 46684786
N-[2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]benzamide
CID 33147932

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide (CID 46570096) is N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide is Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(OC4CCCC4)cc3)cnc21.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The InChIKey is VWSMBULZPFNGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-24-19-17(12-22-24)20(27)25(13-21-19)11-10-18(26)23-14-6-8-16(9-7-14)28-15-4-2-3-5-15/h6-9,12-13,15H,2-5,10-11H2,1H3,(H,23,26).
What are the key properties of N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide has a molecular weight of 381.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 46570096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).