(7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

C23H27N5O4 — CID 165380945

IUPAC(7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCOC[C@@](C)(N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12
InChIInChI=1S/C23H27N5O4/c1-12-13(2)32-22(29)14-6-7-18(28-20(12)14)27-19-8-15-16(9-25-19)21(31-5)26-10-17(15)23(3,24)11-30-4/h6-10,12-13H,11,24H2,1-5H3,(H,25,27,28)/t12-,13-,23+/m0/s1
InChIKeySRHUJGVLSQUUKW-VQNPYFGKSA-N
MW437.50 g/mol
LogP3.26
Rot. Bonds6

About (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

(7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165380945) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-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-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID165380945
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name(7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCOC[C@@](C)(N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12
InChIInChI=1S/C23H27N5O4/c1-12-13(2)32-22(29)14-6-7-18(28-20(12)14)27-19-8-15-16(9-25-19)21(31-5)26-10-17(15)23(3,24)11-30-4/h6-10,12-13H,11,24H2,1-5H3,(H,25,27,28)/t12-,13-,23+/m0/s1
InChIKeySRHUJGVLSQUUKW-VQNPYFGKSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-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-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165380945) is (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-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-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-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-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is COC[C@@](C)(N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12.
What is the InChIKey of (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is SRHUJGVLSQUUKW-VQNPYFGKSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-12-13(2)32-22(29)14-6-7-18(28-20(12)14)27-19-8-15-16(9-25-19)21(31-5)26-10-17(15)23(3,24)11-30-4/h6-10,12-13H,11,24H2,1-5H3,(H,25,27,28)/t12-,13-,23+/m0/s1.
What are the key properties of (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
(7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 437.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).