N-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H22N6O3 — CID 129284370

IUPACN-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O
InChIInChI=1S/C21H22N6O3/c1-25-6-3-14-11-17(18(12-15(14)21(25)29)26-7-9-30-10-8-26)24-20(28)16-13-23-27-5-2-4-22-19(16)27/h2,4-5,11-13H,3,6-10H2,1H3,(H,24,28)
InChIKeyVGEVSSOFAJPIPC-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.45
Rot. Bonds3

About N-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284370) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284370
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC NameN-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O
InChIInChI=1S/C21H22N6O3/c1-25-6-3-14-11-17(18(12-15(14)21(25)29)26-7-9-30-10-8-26)24-20(28)16-13-23-27-5-2-4-22-19(16)27/h2,4-5,11-13H,3,6-10H2,1H3,(H,24,28)
InChIKeyVGEVSSOFAJPIPC-UHFFFAOYSA-N
XLogP1.45
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(R)-N-(2-(2-Fluoro-3-hydroxy-3-methylbutyl)-6-morpholino-1-oxoisoindolin-5-YL)pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 129284334
5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 24764438
1-(4-{4-Morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea
CID 44182308
GSK-3|A inhibitor 13
CID 134551592
(6~{r})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480563
(6~{s})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480564
2-((4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
CID 53245636
4-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 44449750
N-ethyl-4-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 44449803
N-ethyl-5-methyl-4-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 44449982
5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 44450009
US9555022, Example 02.29
CID 54770142

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284370) is N-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O.
What is the InChIKey of N-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VGEVSSOFAJPIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-25-6-3-14-11-17(18(12-15(14)21(25)29)26-7-9-30-10-8-26)24-20(28)16-13-23-27-5-2-4-22-19(16)27/h2,4-5,11-13H,3,6-10H2,1H3,(H,24,28).
What are the key properties of N-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-7-morpholin-4-yl-1-oxo-3,4-dihydroisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).