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

C22H25N5O2 — CID 165381275

IUPAC(7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCC[C@@H](N)c1cnc(C)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12
InChIInChI=1S/C22H25N5O2/c1-5-18(23)17-10-24-12(3)16-9-25-20(8-15(16)17)26-19-7-6-14-21(27-19)11(2)13(4)29-22(14)28/h6-11,13,18H,5,23H2,1-4H3,(H,25,26,27)/t11-,13-,18+/m0/s1
InChIKeyCYOPMCBCPMDOLK-RRUGBERISA-N
MW391.48 g/mol
LogP4.15
Rot. Bonds4

About (7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-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-methyl-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165381275) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-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-methyl-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID165381275
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name(7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCC[C@@H](N)c1cnc(C)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12
InChIInChI=1S/C22H25N5O2/c1-5-18(23)17-10-24-12(3)16-9-25-20(8-15(16)17)26-19-7-6-14-21(27-19)11(2)13(4)29-22(14)28/h6-11,13,18H,5,23H2,1-4H3,(H,25,26,27)/t11-,13-,18+/m0/s1
InChIKeyCYOPMCBCPMDOLK-RRUGBERISA-N
XLogP4.15
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-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-methyl-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-methyl-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165381275) is (7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-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-methyl-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-methyl-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is CC[C@@H](N)c1cnc(C)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-methyl-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is CYOPMCBCPMDOLK-RRUGBERISA-N. The full InChI is InChI=1S/C22H25N5O2/c1-5-18(23)17-10-24-12(3)16-9-25-20(8-15(16)17)26-19-7-6-14-21(27-19)11(2)13(4)29-22(14)28/h6-11,13,18H,5,23H2,1-4H3,(H,25,26,27)/t11-,13-,18+/m0/s1.
What are the key properties of (7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-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-methyl-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 391.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165381275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).