(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

C25H31N5O3 — CID 165380830

IUPAC(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCCCOc1ncc([C@](C)(N)CC)c2cc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)ncc12
InChIInChI=1S/C25H31N5O3/c1-6-10-32-23-18-12-27-21(11-17(18)19(13-28-23)25(5,26)7-2)29-20-9-8-16-22(30-20)14(3)15(4)33-24(16)31/h8-9,11-15H,6-7,10,26H2,1-5H3,(H,27,29,30)/t14-,15-,25+/m0/s1
InChIKeyXDDBLRRFGTWNMS-XSKAOVLVSA-N
MW449.56 g/mol
LogP4.80
Rot. Bonds7

About (7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165380830) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is (7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-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-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID165380830
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCCCOc1ncc([C@](C)(N)CC)c2cc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)ncc12
InChIInChI=1S/C25H31N5O3/c1-6-10-32-23-18-12-27-21(11-17(18)19(13-28-23)25(5,26)7-2)29-20-9-8-16-22(30-20)14(3)15(4)33-24(16)31/h8-9,11-15H,6-7,10,26H2,1-5H3,(H,27,29,30)/t14-,15-,25+/m0/s1
InChIKeyXDDBLRRFGTWNMS-XSKAOVLVSA-N
XLogP4.80
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-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-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165380830) is (7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-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-[(2R)-2-aminobutan-2-yl]-8-propoxy-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-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is CCCOc1ncc([C@](C)(N)CC)c2cc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)ncc12.
What is the InChIKey of (7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is XDDBLRRFGTWNMS-XSKAOVLVSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-6-10-32-23-18-12-27-21(11-17(18)19(13-28-23)25(5,26)7-2)29-20-9-8-16-22(30-20)14(3)15(4)33-24(16)31/h8-9,11-15H,6-7,10,26H2,1-5H3,(H,27,29,30)/t14-,15-,25+/m0/s1.
What are the key properties of (7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 449.56 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).