7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide

C16H25N5O2 — CID 119888511

IUPAC7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)CCCCCCN
InChIInChI=1S/C16H25N5O2/c1-11-13(10-18-15(22)7-5-3-4-6-8-17)12(2)21-14(19-11)9-16(23)20-21/h9H,3-8,10,17H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyOWOMLJGOGJRQQD-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.16
Rot. Bonds8

About 7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide

7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide (PubChem CID 119888511) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide
PubChem CID119888511
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)CCCCCCN
InChIInChI=1S/C16H25N5O2/c1-11-13(10-18-15(22)7-5-3-4-6-8-17)12(2)21-14(19-11)9-16(23)20-21/h9H,3-8,10,17H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyOWOMLJGOGJRQQD-UHFFFAOYSA-N
XLogP1.16
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide?
The IUPAC name of 7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide (CID 119888511) is 7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide?
The canonical SMILES for 7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide is Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide?
The InChIKey is OWOMLJGOGJRQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11-13(10-18-15(22)7-5-3-4-6-8-17)12(2)21-14(19-11)9-16(23)20-21/h9H,3-8,10,17H2,1-2H3,(H,18,22)(H,20,23).
What are the key properties of 7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide?
7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide has a molecular weight of 319.41 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide is sourced from PubChem (CID 119888511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).