2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide

C17H19N5O2 — CID 167882081

IUPAC2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)Cc1nc2cnn(C)c2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C17H19N5O2/c1-3-12(11-7-5-4-6-8-11)20-15(23)9-14-19-13-10-18-22(2)16(13)17(24)21-14/h4-8,10,12H,3,9H2,1-2H3,(H,20,23)(H,19,21,24)
InChIKeyMIFXNIHTLKZJBO-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.47
Rot. Bonds5

About 2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide

2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide (PubChem CID 167882081) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide
PubChem CID167882081
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)Cc1nc2cnn(C)c2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C17H19N5O2/c1-3-12(11-7-5-4-6-8-11)20-15(23)9-14-19-13-10-18-22(2)16(13)17(24)21-14/h4-8,10,12H,3,9H2,1-2H3,(H,20,23)(H,19,21,24)
InChIKeyMIFXNIHTLKZJBO-UHFFFAOYSA-N
XLogP1.47
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
CID 135566841
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CID 77096483
2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
CID 99954928
2-(2-chlorophenyl)-N-(1-phenylpropyl)acetamide
CID 17328141
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
2-(naphthalen-2-ylamino)-N-(1-phenylpropyl)acetamide
CID 54839833
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide
CID 136915020
2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid
CID 62306268
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
CID 92685405
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide (CID 167882081) is 2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide is CCC(NC(=O)Cc1nc2cnn(C)c2c(=O)[nH]1)c1ccccc1.
What is the InChIKey of 2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide?
The InChIKey is MIFXNIHTLKZJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-12(11-7-5-4-6-8-11)20-15(23)9-14-19-13-10-18-22(2)16(13)17(24)21-14/h4-8,10,12H,3,9H2,1-2H3,(H,20,23)(H,19,21,24).
What are the key properties of 2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide?
2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 167882081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).