methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate

C27H32N6O5 — CID 167211395

IUPACmethyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](Oc2ncc(C(C)(C)N)c3cc(Nc4ccc5c(n4)[C@@H](C)[C@H](C)OC5=O)ncc23)C1
InChIInChI=1S/C27H32N6O5/c1-14-15(2)37-25(34)17-6-7-21(32-23(14)17)31-22-10-18-19(11-29-22)24(30-12-20(18)27(3,4)28)38-16-8-9-33(13-16)26(35)36-5/h6-7,10-12,14-16H,8-9,13,28H2,1-5H3,(H,29,31,32)/t14-,15-,16-/m0/s1
InChIKeyJUAGKHSEXLOFSJ-JYJNAYRXSA-N
MW520.59 g/mol
LogP3.84
Rot. Bonds5

About methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate

methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate (PubChem CID 167211395) has the molecular formula C27H32N6O5 and a molecular weight of 520.59 g/mol. Its IUPAC name is methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate
PubChem CID167211395
Molecular FormulaC27H32N6O5
Molecular Weight520.59 g/mol
Exact Mass520.24
IUPAC Namemethyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](Oc2ncc(C(C)(C)N)c3cc(Nc4ccc5c(n4)[C@@H](C)[C@H](C)OC5=O)ncc23)C1
InChIInChI=1S/C27H32N6O5/c1-14-15(2)37-25(34)17-6-7-21(32-23(14)17)31-22-10-18-19(11-29-22)24(30-12-20(18)27(3,4)28)38-16-8-9-33(13-16)26(35)36-5/h6-7,10-12,14-16H,8-9,13,28H2,1-5H3,(H,29,31,32)/t14-,15-,16-/m0/s1
InChIKeyJUAGKHSEXLOFSJ-JYJNAYRXSA-N
XLogP3.84
TPSA141.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166483938
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3-methyloxetan-3-yl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166506465
(7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165117445
(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
(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
(7S,8R)-2-[[5-[(2S)-2-hydroxybutan-2-yl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166484324
(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
(7S,8S)-2-[[5-(2-aminobutan-2-yl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166663970
(3S,4R)-6-[[5-(2-aminopropan-2-yl)-8-[3-(3,3-difluoroazetidine-1-carbonyl)cyclobutyl]oxy-2,7-naphthyridin-3-yl]amino]-3,4-dimethyl-3,4-dihydroisochromen-1-one
CID 171728033
(7S,8R)-2-[[5-(2-aminobutan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166663951

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate?
The IUPAC name of methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate (CID 167211395) is methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate is COC(=O)N1CC[C@H](Oc2ncc(C(C)(C)N)c3cc(Nc4ccc5c(n4)[C@@H](C)[C@H](C)OC5=O)ncc23)C1.
What is the InChIKey of methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate?
The InChIKey is JUAGKHSEXLOFSJ-JYJNAYRXSA-N. The full InChI is InChI=1S/C27H32N6O5/c1-14-15(2)37-25(34)17-6-7-21(32-23(14)17)31-22-10-18-19(11-29-22)24(30-12-20(18)27(3,4)28)38-16-8-9-33(13-16)26(35)36-5/h6-7,10-12,14-16H,8-9,13,28H2,1-5H3,(H,29,31,32)/t14-,15-,16-/m0/s1.
What are the key properties of methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate?
methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate has a molecular weight of 520.59 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 167211395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).