6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one

C25H29N5O3S — CID 68517776

IUPAC6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one
SMILESCOc1ccc2nccc(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)CC(=O)CS5)CO3)c2n1
InChIInChI=1S/C25H29N5O3S/c1-32-24-7-4-20-25(30-24)15(8-9-27-20)10-19(26)22-5-2-17(13-33-22)28-12-16-3-6-23-21(29-16)11-18(31)14-34-23/h3-4,6-9,17,19,22,28H,2,5,10-14,26H2,1H3/t17-,19+,22+/m1/s1
InChIKeyYPQGTTUOPXLXRK-LZNRXBQRSA-N
MW479.61 g/mol
LogP2.46
Rot. Bonds7

About 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one

6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one (PubChem CID 68517776) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one.

Molecular Properties

Compound Name6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one
PubChem CID68517776
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one
SMILESCOc1ccc2nccc(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)CC(=O)CS5)CO3)c2n1
InChIInChI=1S/C25H29N5O3S/c1-32-24-7-4-20-25(30-24)15(8-9-27-20)10-19(26)22-5-2-17(13-33-22)28-12-16-3-6-23-21(29-16)11-18(31)14-34-23/h3-4,6-9,17,19,22,28H,2,5,10-14,26H2,1H3/t17-,19+,22+/m1/s1
InChIKeyYPQGTTUOPXLXRK-LZNRXBQRSA-N
XLogP2.46
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one?
The IUPAC name of 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one (CID 68517776) is 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one.
What is the SMILES notation for 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one?
The canonical SMILES for 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one is COc1ccc2nccc(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)CC(=O)CS5)CO3)c2n1.
What is the InChIKey of 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one?
The InChIKey is YPQGTTUOPXLXRK-LZNRXBQRSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-32-24-7-4-20-25(30-24)15(8-9-27-20)10-19(26)22-5-2-17(13-33-22)28-12-16-3-6-23-21(29-16)11-18(31)14-34-23/h3-4,6-9,17,19,22,28H,2,5,10-14,26H2,1H3/t17-,19+,22+/m1/s1.
What are the key properties of 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one?
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one has a molecular weight of 479.61 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one is sourced from PubChem (CID 68517776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).