(7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

C28H37N5O6S — CID 166483888

IUPAC(7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCOC[C@@](C)(N)c1cnc(O[C@H](C)C[C@@H](C)S(C)(=O)=O)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12
InChIInChI=1S/C28H37N5O6S/c1-15(10-16(2)40(7,35)36)38-26-21-12-30-24(11-20(21)22(13-31-26)28(5,29)14-37-6)32-23-9-8-19-25(33-23)17(3)18(4)39-27(19)34/h8-9,11-13,15-18H,10,14,29H2,1-7H3,(H,30,32,33)/t15-,16-,17+,18+,28-/m1/s1
InChIKeyTYKMLAPUAMMCJV-KJDWLEOMSA-N
MW571.70 g/mol
LogP3.84
Rot. Bonds10

About (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

(7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 166483888) has the molecular formula C28H37N5O6S and a molecular weight of 571.70 g/mol. Its IUPAC name is (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name(7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID166483888
Molecular FormulaC28H37N5O6S
Molecular Weight571.70 g/mol
Exact Mass571.25
IUPAC Name(7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCOC[C@@](C)(N)c1cnc(O[C@H](C)C[C@@H](C)S(C)(=O)=O)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12
InChIInChI=1S/C28H37N5O6S/c1-15(10-16(2)40(7,35)36)38-26-21-12-30-24(11-20(21)22(13-31-26)28(5,29)14-37-6)32-23-9-8-19-25(33-23)17(3)18(4)39-27(19)34/h8-9,11-13,15-18H,10,14,29H2,1-7H3,(H,30,32,33)/t15-,16-,17+,18+,28-/m1/s1
InChIKeyTYKMLAPUAMMCJV-KJDWLEOMSA-N
XLogP3.84
TPSA155.62 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.70
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one with MolForge

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Launch Full Analysis

Related Compounds

(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-[(2S)-4-methyl-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166483745
(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-[(2R)-4-methylsulfonylbutan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166483906
(8S)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166483780
(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-[(2R)-4-[(R)-methylsulfinyl]butan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166483896
(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one;(7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(trifluoromethyl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 167531560
(7S,8S)-2-[[5-(2-aminobutan-2-yl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166663970
2'-[[5-[(2R)-2-aminobutan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7',7'-dimethylspiro[cyclopropane-1,8'-pyrano[4,3-b]pyridine]-5'-one
CID 166483900
2-[[5-[(2R)-2-aminopentan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166483923
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166483938
(7R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-[(2S)-4-methyl-4-(methylsulfonimidoyl)pentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8,8-trimethyl-7H-pyrano[4,3-b]pyridin-5-one
CID 166483401
(7S)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-[(2R)-4-methyl-4-(methylsulfonimidoyl)pentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8,8-trimethyl-7H-pyrano[4,3-b]pyridin-5-one
CID 166484032
(8R)-2-[[5-[(S)-amino(cyclopropyl)methyl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166483862

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The IUPAC name of (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 166483888) is (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The canonical SMILES for (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is COC[C@@](C)(N)c1cnc(O[C@H](C)C[C@@H](C)S(C)(=O)=O)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12.
What is the InChIKey of (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is TYKMLAPUAMMCJV-KJDWLEOMSA-N. The full InChI is InChI=1S/C28H37N5O6S/c1-15(10-16(2)40(7,35)36)38-26-21-12-30-24(11-20(21)22(13-31-26)28(5,29)14-37-6)32-23-9-8-19-25(33-23)17(3)18(4)39-27(19)34/h8-9,11-13,15-18H,10,14,29H2,1-7H3,(H,30,32,33)/t15-,16-,17+,18+,28-/m1/s1.
What are the key properties of (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
(7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 571.70 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 166483888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).