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

C23H22N6O4S — CID 121333894

IUPAC1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
SMILESCOc1ccc(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c(N2CCOCC2)n1
InChIInChI=1S/C23H22N6O4S/c1-32-21-5-4-19(23(27-21)29-10-12-33-13-11-29)22-18-3-2-17(14-16(18)6-9-25-22)34(30,31)28-20-7-8-24-15-26-20/h2-9,14-15H,10-13H2,1H3,(H,24,26,28)
InChIKeyYKSAQTAOBGYEKZ-UHFFFAOYSA-N
MW478.53 g/mol
LogP2.73
Rot. Bonds6

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

1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide (PubChem CID 121333894) has the molecular formula C23H22N6O4S and a molecular weight of 478.53 g/mol. Its IUPAC name is 1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
PubChem CID121333894
Molecular FormulaC23H22N6O4S
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC Name1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
SMILESCOc1ccc(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c(N2CCOCC2)n1
InChIInChI=1S/C23H22N6O4S/c1-32-21-5-4-19(23(27-21)29-10-12-33-13-11-29)22-18-3-2-17(14-16(18)6-9-25-22)34(30,31)28-20-7-8-24-15-26-20/h2-9,14-15H,10-13H2,1H3,(H,24,26,28)
InChIKeyYKSAQTAOBGYEKZ-UHFFFAOYSA-N
XLogP2.73
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[2-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
CID 86687686
N-(5-fluoropyrimidin-4-yl)-1-[2-methoxy-4-(trifluoromethyl)phenyl]isoquinoline-6-sulfonamide
CID 71585636
8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide
CID 86687550
5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide
CID 71586705
N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)-4-[[5-[4-methyl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]indazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide
CID 172600640
1-[5-cyano-2-methoxy-4-(2-methylphenyl)phenyl]-N-(1,2-oxazol-3-yl)isoquinoline-6-sulfonamide
CID 121333905
4-cyano-1-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
CID 86687515
N-(5-methoxy-4-morpholin-4-yl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 172600600
(4S)-4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135196605
1-[2-methoxy-4-(2-methoxy-3-pyridinyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)isoquinoline-6-sulfonamide
CID 139208246
1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-N-(1,3-oxazol-2-yl)isoquinoline-6-sulfonamide
CID 121333853
1-[5-fluoro-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]-N-pyrimidin-2-ylisoquinoline-6-sulfonamide
CID 121333925

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
The IUPAC name of 1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide (CID 121333894) is 1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide.
What is the SMILES notation for 1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
The canonical SMILES for 1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide is COc1ccc(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c(N2CCOCC2)n1.
What is the InChIKey of 1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
The InChIKey is YKSAQTAOBGYEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S/c1-32-21-5-4-19(23(27-21)29-10-12-33-13-11-29)22-18-3-2-17(14-16(18)6-9-25-22)34(30,31)28-20-7-8-24-15-26-20/h2-9,14-15H,10-13H2,1H3,(H,24,26,28).
What are the key properties of 1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide has a molecular weight of 478.53 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide is sourced from PubChem (CID 121333894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).