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

C24H29N5O4 — CID 165381014

IUPAC(8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCOC[C@@](C)(N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12
InChIInChI=1S/C24H29N5O4/c1-13-20-14(22(30)33-23(13,2)3)7-8-18(29-20)28-19-9-15-16(10-26-19)21(32-6)27-11-17(15)24(4,25)12-31-5/h7-11,13H,12,25H2,1-6H3,(H,26,28,29)/t13-,24-/m1/s1
InChIKeyCJUVVEDUWTVVQS-YEBMWUKDSA-N
MW451.53 g/mol
LogP3.65
Rot. Bonds6

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

(8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 165381014) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is (8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-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-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID165381014
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name(8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCOC[C@@](C)(N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12
InChIInChI=1S/C24H29N5O4/c1-13-20-14(22(30)33-23(13,2)3)7-8-18(29-20)28-19-9-15-16(10-26-19)21(32-6)27-11-17(15)24(4,25)12-31-5/h7-11,13H,12,25H2,1-6H3,(H,26,28,29)/t13-,24-/m1/s1
InChIKeyCJUVVEDUWTVVQS-YEBMWUKDSA-N
XLogP3.65
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-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-[(2S)-2-amino-1-methoxypropan-2-yl]-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-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 165381014) is (8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-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-[(2S)-2-amino-1-methoxypropan-2-yl]-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-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is COC[C@@](C)(N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12.
What is the InChIKey of (8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is CJUVVEDUWTVVQS-YEBMWUKDSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-13-20-14(22(30)33-23(13,2)3)7-8-18(29-20)28-19-9-15-16(10-26-19)21(32-6)27-11-17(15)24(4,25)12-31-5/h7-11,13H,12,25H2,1-6H3,(H,26,28,29)/t13-,24-/m1/s1.
What are the key properties of (8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
(8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-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 451.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-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 165381014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).