(3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol

C19H20FN7O4S — CID 144972563

IUPAC(3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol
SMILESCOc1cnc2c(Nc3cc([C@]4(C)CS(=O)(=O)[C@@](C)(O)C(N)=N4)c(F)cn3)ccnc2n1
InChIInChI=1S/C19H20FN7O4S/c1-18(9-32(29,30)19(2,28)17(21)27-18)10-6-13(23-7-11(10)20)25-12-4-5-22-16-15(12)24-8-14(26-16)31-3/h4-8,28H,9H2,1-3H3,(H2,21,27)(H,22,23,25,26)/t18-,19+/m0/s1
InChIKeyGXAQXKBAQVEFSX-RBUKOAKNSA-N
MW461.48 g/mol
LogP1.02
Rot. Bonds4

About (3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol

(3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol (PubChem CID 144972563) has the molecular formula C19H20FN7O4S and a molecular weight of 461.48 g/mol. Its IUPAC name is (3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol.

Molecular Properties

Compound Name(3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol
PubChem CID144972563
Molecular FormulaC19H20FN7O4S
Molecular Weight461.48 g/mol
Exact Mass461.13
IUPAC Name(3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol
SMILESCOc1cnc2c(Nc3cc([C@]4(C)CS(=O)(=O)[C@@](C)(O)C(N)=N4)c(F)cn3)ccnc2n1
InChIInChI=1S/C19H20FN7O4S/c1-18(9-32(29,30)19(2,28)17(21)27-18)10-6-13(23-7-11(10)20)25-12-4-5-22-16-15(12)24-8-14(26-16)31-3/h4-8,28H,9H2,1-3H3,(H2,21,27)(H,22,23,25,26)/t18-,19+/m0/s1
InChIKeyGXAQXKBAQVEFSX-RBUKOAKNSA-N
XLogP1.02
TPSA165.57 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.48
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol with MolForge

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Launch Full Analysis

Related Compounds

2,2-difluoro-7-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]phenyl]-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine
CID 118365496
(3R)-3-[2-[(3-but-2-ynoxy-1,7-naphthyridin-8-yl)amino]-5-fluoro-4-pyridinyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 144972593
tert-butyl N-[(2S,5R)-2-cyclopropyl-5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]carbamate
CID 118568424
ethane;3-[2-fluoro-5-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]phenyl]-6,6-dimethyl-1-methylidene-2,3-dihydro-1,4-thiazin-5-amine;methanamine
CID 145039245
N-[3-[(3R,6S)-5-amino-6-cyclobutyl-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 89095060
N-[3-[(3R)-5-amino-3,6-dimethyl-1,1-dioxo-6-pyridin-2-yl-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 66563272
(7S)-7-(2-bromo-5-fluoro-4-pyridinyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine
CID 86715848
(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-(5-methoxypyrazin-2-yl)ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 135126301
N-[3-[(3R,6S)-5-amino-6-(4-fluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 66562467
(3R,6S)-6-cyclopropyl-3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 118568286
(1S,3R)-3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-3,6,6-trimethyl-1-methylimino-1-oxo-2H-1,4-thiazin-5-amine
CID 130404510
cyclopropane;3-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 144972647

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol?
The IUPAC name of (3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol (CID 144972563) is (3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol.
What is the SMILES notation for (3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol?
The canonical SMILES for (3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol is COc1cnc2c(Nc3cc([C@]4(C)CS(=O)(=O)[C@@](C)(O)C(N)=N4)c(F)cn3)ccnc2n1.
What is the InChIKey of (3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol?
The InChIKey is GXAQXKBAQVEFSX-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H20FN7O4S/c1-18(9-32(29,30)19(2,28)17(21)27-18)10-6-13(23-7-11(10)20)25-12-4-5-22-16-15(12)24-8-14(26-16)31-3/h4-8,28H,9H2,1-3H3,(H2,21,27)(H,22,23,25,26)/t18-,19+/m0/s1.
What are the key properties of (3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol?
(3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol has a molecular weight of 461.48 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-5-amino-3-[5-fluoro-2-[(3-methoxypyrido[2,3-b]pyrazin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-6-ol is sourced from PubChem (CID 144972563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).