5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine

C19H20N6O3S2 — CID 123450393

IUPAC5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine
SMILESCC(C)ON=C1CCN(S(C)(=O)=O)c2ncc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C19H20N6O3S2/c1-12(2)28-24-14-6-8-25(30(3,26)27)18-17(14)23-15(10-21-18)16-11-22-19(29-16)13-5-4-7-20-9-13/h4-5,7,9-12H,6,8H2,1-3H3
InChIKeyGNERSEGEHDLQSQ-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.96
Rot. Bonds5

About 5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine

5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine (PubChem CID 123450393) has the molecular formula C19H20N6O3S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine.

Molecular Properties

Compound Name5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine
PubChem CID123450393
Molecular FormulaC19H20N6O3S2
Molecular Weight444.54 g/mol
Exact Mass444.10
IUPAC Name5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine
SMILESCC(C)ON=C1CCN(S(C)(=O)=O)c2ncc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C19H20N6O3S2/c1-12(2)28-24-14-6-8-25(30(3,26)27)18-17(14)23-15(10-21-18)16-11-22-19(29-16)13-5-4-7-20-9-13/h4-5,7,9-12H,6,8H2,1-3H3
InChIKeyGNERSEGEHDLQSQ-UHFFFAOYSA-N
XLogP2.96
TPSA110.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-8-methylsulfonyl-N-propan-2-yloxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine
CID 118081723
N-methoxy-8-methylsulfonyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine
CID 123650024
8-methylsulfonyl-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine
CID 123676120
(E)-N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2,3-dihydro-1,5-naphthyridin-4-imine
CID 118081561
(E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine
CID 118081538
(NE)-N-[3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-quinoxalin-5-ylidene]hydroxylamine
CID 136949820
N-ethoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-methylsulfonyl-5,6-dihydro-[1,3]oxazolo[5,4-b]pyridin-7-imine
CID 123741490
(E)-5-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-6,7-dihydropyrido[2,3-b]pyrazin-8-imine
CID 118081640
(NE)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-methylsulfonyl-5,6-dihydro-[1,3]oxazolo[5,4-b]pyridin-7-ylidene]hydroxylamine
CID 118081791
methyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
CID 123865812
(E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-1,2,4-benzotriazin-5-imine
CID 118081704
(E)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propan-2-yloxy-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine
CID 118081737

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine?
The IUPAC name of 5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine (CID 123450393) is 5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine.
What is the SMILES notation for 5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine?
The canonical SMILES for 5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine is CC(C)ON=C1CCN(S(C)(=O)=O)c2ncc(-c3cnc(-c4cccnc4)s3)nc21.
What is the InChIKey of 5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine?
The InChIKey is GNERSEGEHDLQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S2/c1-12(2)28-24-14-6-8-25(30(3,26)27)18-17(14)23-15(10-21-18)16-11-22-19(29-16)13-5-4-7-20-9-13/h4-5,7,9-12H,6,8H2,1-3H3.
What are the key properties of 5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine?
5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine has a molecular weight of 444.54 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine is sourced from PubChem (CID 123450393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).