(3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

C23H25FN6O3S — CID 102514699

IUPAC(3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCOc1cnc2c(Nc3cc([C@]4(C)CS(=O)(=O)[C@@](C)(C5CC5)C(N)=N4)c(F)cn3)nccc2c1
InChIInChI=1S/C23H25FN6O3S/c1-22(12-34(31,32)23(2,14-4-5-14)21(25)30-22)16-9-18(27-11-17(16)24)29-20-19-13(6-7-26-20)8-15(33-3)10-28-19/h6-11,14H,4-5,12H2,1-3H3,(H2,25,30)(H,26,27,29)/t22-,23-/m0/s1
InChIKeyCVIKZJGUFZXXGR-GOTSBHOMSA-N
MW484.56 g/mol
LogP3.09
Rot. Bonds5

About (3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

(3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 102514699) has the molecular formula C23H25FN6O3S and a molecular weight of 484.56 g/mol. Its IUPAC name is (3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
PubChem CID102514699
Molecular FormulaC23H25FN6O3S
Molecular Weight484.56 g/mol
Exact Mass484.17
IUPAC Name(3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCOc1cnc2c(Nc3cc([C@]4(C)CS(=O)(=O)[C@@](C)(C5CC5)C(N)=N4)c(F)cn3)nccc2c1
InChIInChI=1S/C23H25FN6O3S/c1-22(12-34(31,32)23(2,14-4-5-14)21(25)30-22)16-9-18(27-11-17(16)24)29-20-19-13(6-7-26-20)8-15(33-3)10-28-19/h6-11,14H,4-5,12H2,1-3H3,(H2,25,30)(H,26,27,29)/t22-,23-/m0/s1
InChIKeyCVIKZJGUFZXXGR-GOTSBHOMSA-N
XLogP3.09
TPSA132.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10071998, Example 4
CID 122435134
5-Methyl-N-[4-[[3-[1-(methylsulfonyl)-4-piperidinyl]-2-pyrazinyl]oxy]phenyl]-2-pyridinamine
CID 59374157
(3S)-3-[2-fluoro-5-[(5-fluoro-3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-3-(fluoromethyl)-6,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 73671623
US9732088, Example 11
CID 118568347
US9732088, Example 10
CID 118568350
US9732088, Example 25
CID 137017597
N-[2,4-difluoro-3-[3-(5-methoxy-3-pyridinyl)-5-(4-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridin-1-yl]phenyl]propane-1-sulfonamide
CID 60151525
(3R,6R)-6-fluoro-3-[2-fluoro-5-[(7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]phenyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 73669146
(5R)-5-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
CID 73670145
(3R)-3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 73670148
(3S)-3-(difluoromethyl)-3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 73670318
(8R)-8-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-8-methyl-6,6-dioxo-6lambda6-thia-9-azaspiro[4.5]dec-9-en-10-amine
CID 73670486

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The IUPAC name of (3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 102514699) is (3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.
What is the SMILES notation for (3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The canonical SMILES for (3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is COc1cnc2c(Nc3cc([C@]4(C)CS(=O)(=O)[C@@](C)(C5CC5)C(N)=N4)c(F)cn3)nccc2c1.
What is the InChIKey of (3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The InChIKey is CVIKZJGUFZXXGR-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H25FN6O3S/c1-22(12-34(31,32)23(2,14-4-5-14)21(25)30-22)16-9-18(27-11-17(16)24)29-20-19-13(6-7-26-20)8-15(33-3)10-28-19/h6-11,14H,4-5,12H2,1-3H3,(H2,25,30)(H,26,27,29)/t22-,23-/m0/s1.
What are the key properties of (3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
(3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 484.56 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-cyclopropyl-3-[5-fluoro-2-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-4-pyridinyl]-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 102514699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).