(7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

C24H28N4O3 — CID 167573495

IUPAC(7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCCOc1ncc(C(C)(C)N)c2cc(Cc3ccc4c(n3)[C@H](C)[C@H](C)OC4=O)ncc12
InChIInChI=1S/C24H28N4O3/c1-6-30-22-19-11-26-16(10-18(19)20(12-27-22)24(4,5)25)9-15-7-8-17-21(28-15)13(2)14(3)31-23(17)29/h7-8,10-14H,6,9,25H2,1-5H3/t13-,14+/m1/s1
InChIKeySTFLLLROUBJIMP-KGLIPLIRSA-N
MW420.51 g/mol
LogP3.87
Rot. Bonds5

About (7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

(7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 167573495) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is (7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name(7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID167573495
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name(7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCCOc1ncc(C(C)(C)N)c2cc(Cc3ccc4c(n3)[C@H](C)[C@H](C)OC4=O)ncc12
InChIInChI=1S/C24H28N4O3/c1-6-30-22-19-11-26-16(10-18(19)20(12-27-22)24(4,5)25)9-15-7-8-17-21(28-15)13(2)14(3)31-23(17)29/h7-8,10-14H,6,9,25H2,1-5H3/t13-,14+/m1/s1
InChIKeySTFLLLROUBJIMP-KGLIPLIRSA-N
XLogP3.87
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one 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

(7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 167681830
(7S,8R)-2-[[5-(1-azido-1-cyclopropylethyl)-8-(3-methylcyclobutyl)oxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 167542651
(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
(8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one;(8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 167670168
(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-(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
(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
(7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one
CID 167684828
(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-[[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,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-[(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

Frequently Asked Questions

What is the IUPAC name of (7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The IUPAC name of (7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 167573495) is (7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for (7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The canonical SMILES for (7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is CCOc1ncc(C(C)(C)N)c2cc(Cc3ccc4c(n3)[C@H](C)[C@H](C)OC4=O)ncc12.
What is the InChIKey of (7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is STFLLLROUBJIMP-KGLIPLIRSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-6-30-22-19-11-26-16(10-18(19)20(12-27-22)24(4,5)25)9-15-7-8-17-21(28-15)13(2)14(3)31-23(17)29/h7-8,10-14H,6,9,25H2,1-5H3/t13-,14+/m1/s1.
What are the key properties of (7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
(7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 420.51 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 167573495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).