2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide

C19H30N4O2 — CID 95349295

IUPAC2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N[C@H](CCC(C)C)C(C)(C)C
InChIInChI=1S/C19H30N4O2/c1-12(2)7-8-15(19(4,5)6)22-17(24)11-14-13(3)21-16-9-10-20-23(16)18(14)25/h9-10,12,15,20H,7-8,11H2,1-6H3,(H,22,24)/t15-/m1/s1
InChIKeyPDRYNWKJJHYWDR-OAHLLOKOSA-N
MW346.48 g/mol
LogP2.84
Rot. Bonds6

About 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide

2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide (PubChem CID 95349295) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide
PubChem CID95349295
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N[C@H](CCC(C)C)C(C)(C)C
InChIInChI=1S/C19H30N4O2/c1-12(2)7-8-15(19(4,5)6)22-17(24)11-14-13(3)21-16-9-10-20-23(16)18(14)25/h9-10,12,15,20H,7-8,11H2,1-6H3,(H,22,24)/t15-/m1/s1
InChIKeyPDRYNWKJJHYWDR-OAHLLOKOSA-N
XLogP2.84
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide?
The IUPAC name of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide (CID 95349295) is 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide.
What is the SMILES notation for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide?
The canonical SMILES for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide is Cc1nc2cc[nH]n2c(=O)c1CC(=O)N[C@H](CCC(C)C)C(C)(C)C.
What is the InChIKey of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide?
The InChIKey is PDRYNWKJJHYWDR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-12(2)7-8-15(19(4,5)6)22-17(24)11-14-13(3)21-16-9-10-20-23(16)18(14)25/h9-10,12,15,20H,7-8,11H2,1-6H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide?
2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-2,2,6-trimethylheptan-3-yl]acetamide is sourced from PubChem (CID 95349295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).