(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

C25H29N5O4 — CID 166506465

IUPAC(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
SMILESC[C@@H]1OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OC5(C)COC5)c4cn3)nc2[C@H]1C
InChIInChI=1S/C25H29N5O4/c1-13-14(2)33-23(31)15-6-7-19(30-21(13)15)29-20-8-16-17(9-27-20)22(34-25(5)11-32-12-25)28-10-18(16)24(3,4)26/h6-10,13-14H,11-12,26H2,1-5H3,(H,27,29,30)/t13-,14-/m0/s1
InChIKeyBBBUKHREEJAXOY-KBPBESRZSA-N
MW463.54 g/mol
LogP3.79
Rot. Bonds5

About (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

(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 (PubChem CID 166506465) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166506465
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name(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
SMILESC[C@@H]1OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OC5(C)COC5)c4cn3)nc2[C@H]1C
InChIInChI=1S/C25H29N5O4/c1-13-14(2)33-23(31)15-6-7-19(30-21(13)15)29-20-8-16-17(9-27-20)22(34-25(5)11-32-12-25)28-10-18(16)24(3,4)26/h6-10,13-14H,11-12,26H2,1-5H3,(H,27,29,30)/t13-,14-/m0/s1
InChIKeyBBBUKHREEJAXOY-KBPBESRZSA-N
XLogP3.79
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(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
(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
(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
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
(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
(8R)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165381092
(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one;(7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(trifluoromethyl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 167531560
(8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]amino]-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165381191
(8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166663972
(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-[(2S)-4-methyl-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166483745
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OC5(C)COC5)c4cn3)nc2[C@H]1C.
What is the InChIKey of (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?
The InChIKey is BBBUKHREEJAXOY-KBPBESRZSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-13-14(2)33-23(31)15-6-7-19(30-21(13)15)29-20-8-16-17(9-27-20)22(34-25(5)11-32-12-25)28-10-18(16)24(3,4)26/h6-10,13-14H,11-12,26H2,1-5H3,(H,27,29,30)/t13-,14-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 463.54 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166506465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).