(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

C54H64N8O6 — CID 167670168

IUPAC(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
SMILESCC[C@@](C)(N)c1cnc(OC2CC2)c2cnc(Cc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12.CC[C@](C)(N)c1cnc(OC2CC2)c2cnc(Cc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12
InChIInChI=1S/2C27H32N4O3/c2*1-6-27(5,28)22-14-30-24(33-18-8-9-18)21-13-29-17(12-20(21)22)11-16-7-10-19-23(31-16)15(2)26(3,4)34-25(19)32/h2*7,10,12-15,18H,6,8-9,11,28H2,1-5H3/t15-,27+;15-,27-/m11/s1
InChIKeyTZFMAQAQLQMSRZ-YZPYZJTPSA-N
MW921.16 g/mol
LogP9.59
Rot. Bonds12

About (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

(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 (PubChem CID 167670168) has the molecular formula C54H64N8O6 and a molecular weight of 921.16 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167670168
Molecular FormulaC54H64N8O6
Molecular Weight921.16 g/mol
Exact Mass920.49
IUPAC Name(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
SMILESCC[C@@](C)(N)c1cnc(OC2CC2)c2cnc(Cc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12.CC[C@](C)(N)c1cnc(OC2CC2)c2cnc(Cc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12
InChIInChI=1S/2C27H32N4O3/c2*1-6-27(5,28)22-14-30-24(33-18-8-9-18)21-13-29-17(12-20(21)22)11-16-7-10-19-23(31-16)15(2)26(3,4)34-25(19)32/h2*7,10,12-15,18H,6,8-9,11,28H2,1-5H3/t15-,27+;15-,27-/m11/s1
InChIKeyTZFMAQAQLQMSRZ-YZPYZJTPSA-N
XLogP9.59
TPSA200.44 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500921.16
LogP ≤ 59.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@@](C)(N)c1cnc(OC2CC2)c2cnc(Cc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12.CC[C@](C)(N)c1cnc(OC2CC2)c2cnc(Cc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12.
What is the InChIKey of (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?
The InChIKey is TZFMAQAQLQMSRZ-YZPYZJTPSA-N. The full InChI is InChI=1S/2C27H32N4O3/c2*1-6-27(5,28)22-14-30-24(33-18-8-9-18)21-13-29-17(12-20(21)22)11-16-7-10-19-23(31-16)15(2)26(3,4)34-25(19)32/h2*7,10,12-15,18H,6,8-9,11,28H2,1-5H3/t15-,27+;15-,27-/m11/s1.
What are the key properties of (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?
(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 has a molecular weight of 921.16 g/mol, XLogP of 9.59, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167670168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).