N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H20N6O3 — CID 129284195

IUPACN-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O
InChIInChI=1S/C20H20N6O3/c1-24-12-13-9-16(17(10-14(13)20(24)28)25-5-7-29-8-6-25)23-19(27)15-11-22-26-4-2-3-21-18(15)26/h2-4,9-11H,5-8,12H2,1H3,(H,23,27)
InChIKeyVFBUHDWSAHILTP-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.40
Rot. Bonds3

About N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284195) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284195
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC NameN-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O
InChIInChI=1S/C20H20N6O3/c1-24-12-13-9-16(17(10-14(13)20(24)28)25-5-7-29-8-6-25)23-19(27)15-11-22-26-4-2-3-21-18(15)26/h2-4,9-11H,5-8,12H2,1H3,(H,23,27)
InChIKeyVFBUHDWSAHILTP-UHFFFAOYSA-N
XLogP1.40
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284195) is N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O.
What is the InChIKey of N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VFBUHDWSAHILTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-24-12-13-9-16(17(10-14(13)20(24)28)25-5-7-29-8-6-25)23-19(27)15-11-22-26-4-2-3-21-18(15)26/h2-4,9-11H,5-8,12H2,1H3,(H,23,27).
What are the key properties of N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).