(8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one

C29H37N5O5S — CID 166483826

IUPAC(8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESC[C@H](C[C@@H]1CCCS1(=O)=O)Oc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)ncc12
InChIInChI=1S/C29H37N5O5S/c1-16(12-18-8-7-11-40(18,36)37)38-26-21-14-31-24(13-20(21)22(15-32-26)28(3,4)30)33-23-10-9-19-25(34-23)17(2)29(5,6)39-27(19)35/h9-10,13-18H,7-8,11-12,30H2,1-6H3,(H,31,33,34)/t16-,17-,18+/m1/s1
InChIKeyLXWBQJRQWHCSMK-KURKYZTESA-N
MW567.71 g/mol
LogP4.75
Rot. Bonds7

About (8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one

(8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 166483826) has the molecular formula C29H37N5O5S and a molecular weight of 567.71 g/mol. Its IUPAC name is (8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name(8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID166483826
Molecular FormulaC29H37N5O5S
Molecular Weight567.71 g/mol
Exact Mass567.25
IUPAC Name(8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESC[C@H](C[C@@H]1CCCS1(=O)=O)Oc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)ncc12
InChIInChI=1S/C29H37N5O5S/c1-16(12-18-8-7-11-40(18,36)37)38-26-21-14-31-24(13-20(21)22(15-32-26)28(3,4)30)33-23-10-9-19-25(34-23)17(2)29(5,6)39-27(19)35/h9-10,13-18H,7-8,11-12,30H2,1-6H3,(H,31,33,34)/t16-,17-,18+/m1/s1
InChIKeyLXWBQJRQWHCSMK-KURKYZTESA-N
XLogP4.75
TPSA146.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.71
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one with MolForge

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Launch Full Analysis

Related Compounds

(8R)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165381092
(8R)-2-[[5-[(2S)-2-aminopentan-2-yl]-8-[(2R)-4-methylsulfonylbutan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166483497
(8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380909
(8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380883
(8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166663972
(8R)-2-[[5-(1-cyclopropyl-1-hydroxyethyl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166484179
(8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165117583
(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
(8R)-2-[[5-[(1R)-1-cyclopropyl-1-hydroxyethyl]-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166484173
(8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165117442
2-[[5-(1-aminoethyl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one;1-methylidenethiolane 1-oxide
CID 166483734
(8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]amino]-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165381191

Frequently Asked Questions

What is the IUPAC name of (8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The IUPAC name of (8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 166483826) is (8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for (8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The canonical SMILES for (8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is C[C@H](C[C@@H]1CCCS1(=O)=O)Oc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)ncc12.
What is the InChIKey of (8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is LXWBQJRQWHCSMK-KURKYZTESA-N. The full InChI is InChI=1S/C29H37N5O5S/c1-16(12-18-8-7-11-40(18,36)37)38-26-21-14-31-24(13-20(21)22(15-32-26)28(3,4)30)33-23-10-9-19-25(34-23)17(2)29(5,6)39-27(19)35/h9-10,13-18H,7-8,11-12,30H2,1-6H3,(H,31,33,34)/t16-,17-,18+/m1/s1.
What are the key properties of (8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
(8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 567.71 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 166483826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).