N-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide

C17H19N5O3S — CID 126797467

IUPACN-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide
SMILESCNS(=O)(=O)c1cccc2c1CCN(Cc1cc(=O)n3[nH]ccc3n1)C2
InChIInChI=1S/C17H19N5O3S/c1-18-26(24,25)15-4-2-3-12-10-21(8-6-14(12)15)11-13-9-17(23)22-16(20-13)5-7-19-22/h2-5,7,9,18-19H,6,8,10-11H2,1H3
InChIKeyWQWMEAUAWNWHGR-UHFFFAOYSA-N
MW373.44 g/mol
LogP0.49
Rot. Bonds4

About N-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide

N-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide (PubChem CID 126797467) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide
PubChem CID126797467
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide
SMILESCNS(=O)(=O)c1cccc2c1CCN(Cc1cc(=O)n3[nH]ccc3n1)C2
InChIInChI=1S/C17H19N5O3S/c1-18-26(24,25)15-4-2-3-12-10-21(8-6-14(12)15)11-13-9-17(23)22-16(20-13)5-7-19-22/h2-5,7,9,18-19H,6,8,10-11H2,1H3
InChIKeyWQWMEAUAWNWHGR-UHFFFAOYSA-N
XLogP0.49
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide?
The IUPAC name of N-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide (CID 126797467) is N-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide.
What is the SMILES notation for N-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide?
The canonical SMILES for N-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide is CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(=O)n3[nH]ccc3n1)C2.
What is the InChIKey of N-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide?
The InChIKey is WQWMEAUAWNWHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-18-26(24,25)15-4-2-3-12-10-21(8-6-14(12)15)11-13-9-17(23)22-16(20-13)5-7-19-22/h2-5,7,9,18-19H,6,8,10-11H2,1H3.
What are the key properties of N-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide?
N-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide has a molecular weight of 373.44 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide is sourced from PubChem (CID 126797467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).