N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C17H20N6O2 — CID 154870040

IUPACN-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1cnc2n1CCC2
InChIInChI=1S/C17H20N6O2/c1-10-13(11(2)23-15(20-10)7-17(25)21-23)6-16(24)19-9-12-8-18-14-4-3-5-22(12)14/h7-8H,3-6,9H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyUQXVVKSNKFHBDG-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.64
Rot. Bonds4

About N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 154870040) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID154870040
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1cnc2n1CCC2
InChIInChI=1S/C17H20N6O2/c1-10-13(11(2)23-15(20-10)7-17(25)21-23)6-16(24)19-9-12-8-18-14-4-3-5-22(12)14/h7-8H,3-6,9H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyUQXVVKSNKFHBDG-UHFFFAOYSA-N
XLogP0.64
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 154870040) is N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1cnc2n1CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is UQXVVKSNKFHBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-13(11(2)23-15(20-10)7-17(25)21-23)6-16(24)19-9-12-8-18-14-4-3-5-22(12)14/h7-8H,3-6,9H2,1-2H3,(H,19,24)(H,21,25).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 340.39 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 154870040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).