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

C22H25N5O3 — CID 165380995

IUPAC(7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCC[C@@H](N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12
InChIInChI=1S/C22H25N5O3/c1-5-17(23)15-9-25-21(29-4)16-10-24-19(8-14(15)16)26-18-7-6-13-20(27-18)11(2)12(3)30-22(13)28/h6-12,17H,5,23H2,1-4H3,(H,24,26,27)/t11-,12-,17+/m0/s1
InChIKeyZGEGSXRELLQEIP-NVGCLXPQSA-N
MW407.47 g/mol
LogP3.85
Rot. Bonds5

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

(7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165380995) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is (7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-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-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID165380995
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name(7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCC[C@@H](N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12
InChIInChI=1S/C22H25N5O3/c1-5-17(23)15-9-25-21(29-4)16-10-24-19(8-14(15)16)26-18-7-6-13-20(27-18)11(2)12(3)30-22(13)28/h6-12,17H,5,23H2,1-4H3,(H,24,26,27)/t11-,12-,17+/m0/s1
InChIKeyZGEGSXRELLQEIP-NVGCLXPQSA-N
XLogP3.85
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-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-[(1R)-1-aminopropyl]-8-methoxy-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-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165380995) is (7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-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-[(1R)-1-aminopropyl]-8-methoxy-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-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is CC[C@@H](N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12.
What is the InChIKey of (7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is ZGEGSXRELLQEIP-NVGCLXPQSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-5-17(23)15-9-25-21(29-4)16-10-24-19(8-14(15)16)26-18-7-6-13-20(27-18)11(2)12(3)30-22(13)28/h6-12,17H,5,23H2,1-4H3,(H,24,26,27)/t11-,12-,17+/m0/s1.
What are the key properties of (7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
(7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 407.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).