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

C16H17N5O2 — CID 16590307

IUPAC3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1
InChIInChI=1S/C16H17N5O2/c1-11-4-3-5-12(8-11)19-14(22)6-7-21-10-17-15-13(16(21)23)9-18-20(15)2/h3-5,8-10H,6-7H2,1-2H3,(H,19,22)
InChIKeyAMQUDIYIFDGOMA-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.47
Rot. Bonds4

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

3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide (PubChem CID 16590307) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide
PubChem CID16590307
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1
InChIInChI=1S/C16H17N5O2/c1-11-4-3-5-12(8-11)19-14(22)6-7-21-10-17-15-13(16(21)23)9-18-20(15)2/h3-5,8-10H,6-7H2,1-2H3,(H,19,22)
InChIKeyAMQUDIYIFDGOMA-UHFFFAOYSA-N
XLogP1.47
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(3-methylphenyl)propanamide?
The IUPAC name of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide (CID 16590307) is 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1.
What is the InChIKey of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide?
The InChIKey is AMQUDIYIFDGOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11-4-3-5-12(8-11)19-14(22)6-7-21-10-17-15-13(16(21)23)9-18-20(15)2/h3-5,8-10H,6-7H2,1-2H3,(H,19,22).
What are the key properties of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide?
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide has a molecular weight of 311.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 16590307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).