1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide

C19H15N5O3S — CID 71585428

IUPAC1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
SMILESCOc1ncccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12
InChIInChI=1S/C19H15N5O3S/c1-27-19-16(3-2-8-22-19)18-15-5-4-14(11-13(15)6-10-21-18)28(25,26)24-17-7-9-20-12-23-17/h2-12H,1H3,(H,20,23,24)
InChIKeyRRYJWEQJRKPLLP-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.90
Rot. Bonds5

About 1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide

1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide (PubChem CID 71585428) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
PubChem CID71585428
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC Name1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
SMILESCOc1ncccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12
InChIInChI=1S/C19H15N5O3S/c1-27-19-16(3-2-8-22-19)18-15-5-4-14(11-13(15)6-10-21-18)28(25,26)24-17-7-9-20-12-23-17/h2-12H,1H3,(H,20,23,24)
InChIKeyRRYJWEQJRKPLLP-UHFFFAOYSA-N
XLogP2.90
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide (CID 71585428) is 1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide is COc1ncccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
The InChIKey is RRYJWEQJRKPLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c1-27-19-16(3-2-8-22-19)18-15-5-4-14(11-13(15)6-10-21-18)28(25,26)24-17-7-9-20-12-23-17/h2-12H,1H3,(H,20,23,24).
What are the key properties of 1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide has a molecular weight of 393.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide is sourced from PubChem (CID 71585428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).