(8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one

C23H27N5O4 — CID 165380922

IUPAC(8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCOC[C@@H](N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12
InChIInChI=1S/C23H27N5O4/c1-12-20-13(22(29)32-23(12,2)3)6-7-18(28-20)27-19-8-14-15(17(24)11-30-4)9-26-21(31-5)16(14)10-25-19/h6-10,12,17H,11,24H2,1-5H3,(H,25,27,28)/t12-,17-/m1/s1
InChIKeyVQIBYUKKJWUBTD-SJKOYZFVSA-N
MW437.50 g/mol
LogP3.48
Rot. Bonds6

About (8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one

(8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 165380922) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is (8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name(8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID165380922
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name(8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCOC[C@@H](N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12
InChIInChI=1S/C23H27N5O4/c1-12-20-13(22(29)32-23(12,2)3)6-7-18(28-20)27-19-8-14-15(17(24)11-30-4)9-26-21(31-5)16(14)10-25-19/h6-10,12,17H,11,24H2,1-5H3,(H,25,27,28)/t12-,17-/m1/s1
InChIKeyVQIBYUKKJWUBTD-SJKOYZFVSA-N
XLogP3.48
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The IUPAC name of (8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 165380922) is (8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for (8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The canonical SMILES for (8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is COC[C@@H](N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12.
What is the InChIKey of (8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is VQIBYUKKJWUBTD-SJKOYZFVSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-12-20-13(22(29)32-23(12,2)3)6-7-18(28-20)27-19-8-14-15(17(24)11-30-4)9-26-21(31-5)16(14)10-25-19/h6-10,12,17H,11,24H2,1-5H3,(H,25,27,28)/t12-,17-/m1/s1.
What are the key properties of (8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
(8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 437.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-[[5-[(1S)-1-amino-2-methoxyethyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).