3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

C18H16N6O2S — CID 16599002

IUPAC3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCn1ncc2c(=O)n(CCC(=O)Nc3ccc(-c4nccs4)cc3)cnc21
InChIInChI=1S/C18H16N6O2S/c1-23-16-14(10-21-23)18(26)24(11-20-16)8-6-15(25)22-13-4-2-12(3-5-13)17-19-7-9-27-17/h2-5,7,9-11H,6,8H2,1H3,(H,22,25)
InChIKeyLNLZNGXLJWZFOS-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.28
Rot. Bonds5

About 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 16599002) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID16599002
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCn1ncc2c(=O)n(CCC(=O)Nc3ccc(-c4nccs4)cc3)cnc21
InChIInChI=1S/C18H16N6O2S/c1-23-16-14(10-21-23)18(26)24(11-20-16)8-6-15(25)22-13-4-2-12(3-5-13)17-19-7-9-27-17/h2-5,7,9-11H,6,8H2,1H3,(H,22,25)
InChIKeyLNLZNGXLJWZFOS-UHFFFAOYSA-N
XLogP2.28
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
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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
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CID 46570096
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
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N-(4-bromophenyl)-3-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]propanamide
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N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
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3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 27702119
3-methyl-N-[4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]phenyl]butanamide
CID 33030651
N-[2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]benzamide
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N-[4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (CID 16599002) is 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(-c4nccs4)cc3)cnc21.
What is the InChIKey of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is LNLZNGXLJWZFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-23-16-14(10-21-23)18(26)24(11-20-16)8-6-15(25)22-13-4-2-12(3-5-13)17-19-7-9-27-17/h2-5,7,9-11H,6,8H2,1H3,(H,22,25).
What are the key properties of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 380.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 16599002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).