2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one

C24H26N6O4 — CID 165117719

IUPAC2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
SMILESCC(=O)N1CC(Oc2ncc(C(C)N)c3cc(Nc4ccc5c(n4)C(C)(C)OC5=O)ncc23)C1
InChIInChI=1S/C24H26N6O4/c1-12(25)17-8-27-22(33-14-10-30(11-14)13(2)31)18-9-26-20(7-16(17)18)28-19-6-5-15-21(29-19)24(3,4)34-23(15)32/h5-9,12,14H,10-11,25H2,1-4H3,(H,26,28,29)
InChIKeyRKJPMLCMOQTPOB-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.80
Rot. Bonds5

About 2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one

2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one (PubChem CID 165117719) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
PubChem CID165117719
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
SMILESCC(=O)N1CC(Oc2ncc(C(C)N)c3cc(Nc4ccc5c(n4)C(C)(C)OC5=O)ncc23)C1
InChIInChI=1S/C24H26N6O4/c1-12(25)17-8-27-22(33-14-10-30(11-14)13(2)31)18-9-26-20(7-16(17)18)28-19-6-5-15-21(29-19)24(3,4)34-23(15)32/h5-9,12,14H,10-11,25H2,1-4H3,(H,26,28,29)
InChIKeyRKJPMLCMOQTPOB-UHFFFAOYSA-N
XLogP2.80
TPSA132.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one with MolForge

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Related Compounds

2-[[5-(1-aminoethyl)-8-(3-methylcyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 167211719
2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
CID 165380848
(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
(7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-[1-[(1S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165117803
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
(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
2-[[5-(1-aminoethyl)-8-[(1-oxothiolan-3-yl)methoxy]-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166483576
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 167211314
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165117405
cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde
CID 165117793
2-[[5-[(2R)-4-[2-[[4-[(2R)-2-aminobutan-2-yl]-6-[(8,8-dimethyl-5-oxo-7H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]cyclopropyl]butan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-8,8-dimethyl-7H-pyrano[4,3-b]pyridin-5-one
CID 166664332
(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

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one?
The IUPAC name of 2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one (CID 165117719) is 2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one is CC(=O)N1CC(Oc2ncc(C(C)N)c3cc(Nc4ccc5c(n4)C(C)(C)OC5=O)ncc23)C1.
What is the InChIKey of 2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one?
The InChIKey is RKJPMLCMOQTPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-12(25)17-8-27-22(33-14-10-30(11-14)13(2)31)18-9-26-20(7-16(17)18)28-19-6-5-15-21(29-19)24(3,4)34-23(15)32/h5-9,12,14H,10-11,25H2,1-4H3,(H,26,28,29).
What are the key properties of 2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one?
2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one has a molecular weight of 462.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(1-acetylazetidin-3-yl)oxy-5-(1-aminoethyl)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one is sourced from PubChem (CID 165117719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).