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

C21H20N6O3 — CID 137367200

IUPACN-(2-methyl-7-morpholin-4-yl-1-oxoisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1ccc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2c1=O
InChIInChI=1S/C21H20N6O3/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/h2-6,11-13H,7-10H2,1H3,(H,24,28)
InChIKeyASEWBZJHLDHXLR-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.67
Rot. Bonds3

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

N-(2-methyl-7-morpholin-4-yl-1-oxoisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137367200) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(2-methyl-7-morpholin-4-yl-1-oxoisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-7-morpholin-4-yl-1-oxoisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137367200
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC NameN-(2-methyl-7-morpholin-4-yl-1-oxoisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1ccc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2c1=O
InChIInChI=1S/C21H20N6O3/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/h2-6,11-13H,7-10H2,1H3,(H,24,28)
InChIKeyASEWBZJHLDHXLR-UHFFFAOYSA-N
XLogP1.67
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-7-morpholin-4-yl-1-oxoisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methyl-7-morpholin-4-yl-1-oxoisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137367200) is N-(2-methyl-7-morpholin-4-yl-1-oxoisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-7-morpholin-4-yl-1-oxoisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-7-morpholin-4-yl-1-oxoisoquinolin-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-oxoisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ASEWBZJHLDHXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/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/h2-6,11-13H,7-10H2,1H3,(H,24,28).
What are the key properties of N-(2-methyl-7-morpholin-4-yl-1-oxoisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-methyl-7-morpholin-4-yl-1-oxoisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-7-morpholin-4-yl-1-oxoisoquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137367200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).