(8R)-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

C22H25N5O3 — CID 165380955

IUPAC(8R)-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
SMILESCCOc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)[C@@H](C)COC4=O)ncc12
InChIInChI=1S/C22H25N5O3/c1-5-29-20-15-9-24-18(8-14(15)16(10-25-20)22(3,4)23)26-17-7-6-13-19(27-17)12(2)11-30-21(13)28/h6-10,12H,5,11,23H2,1-4H3,(H,24,26,27)/t12-/m0/s1
InChIKeyCJOGPKLUBLFVOG-LBPRGKRZSA-N
MW407.47 g/mol
LogP3.63
Rot. Bonds5

About (8R)-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

(8R)-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 (PubChem CID 165380955) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is (8R)-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.

Molecular Properties

Compound Name(8R)-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
PubChem CID165380955
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name(8R)-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
SMILESCCOc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)[C@@H](C)COC4=O)ncc12
InChIInChI=1S/C22H25N5O3/c1-5-29-20-15-9-24-18(8-14(15)16(10-25-20)22(3,4)23)26-17-7-6-13-19(27-17)12(2)11-30-21(13)28/h6-10,12H,5,11,23H2,1-4H3,(H,24,26,27)/t12-/m0/s1
InChIKeyCJOGPKLUBLFVOG-LBPRGKRZSA-N
XLogP3.63
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (8R)-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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8R)-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?
The IUPAC name of (8R)-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 165380955) is (8R)-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.
What is the SMILES notation for (8R)-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?
The canonical SMILES for (8R)-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 is CCOc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)[C@@H](C)COC4=O)ncc12.
What is the InChIKey of (8R)-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?
The InChIKey is CJOGPKLUBLFVOG-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-5-29-20-15-9-24-18(8-14(15)16(10-25-20)22(3,4)23)26-17-7-6-13-19(27-17)12(2)11-30-21(13)28/h6-10,12H,5,11,23H2,1-4H3,(H,24,26,27)/t12-/m0/s1.
What are the key properties of (8R)-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?
(8R)-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 has a molecular weight of 407.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-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 is sourced from PubChem (CID 165380955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).