(7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one

C23H24F3N5O3 — CID 165380966

IUPAC(7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one
SMILESCC[C@@]1(C)OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OCC(F)(F)F)c4cn3)nc21
InChIInChI=1S/C23H24F3N5O3/c1-5-22(4)18-12(20(32)34-22)6-7-16(31-18)30-17-8-13-14(9-28-17)19(33-11-23(24,25)26)29-10-15(13)21(2,3)27/h6-10H,5,11,27H2,1-4H3,(H,28,30,31)/t22-/m1/s1
InChIKeyQPJDTNXQAMOKKS-JOCHJYFZSA-N
MW475.47 g/mol
LogP4.70
Rot. Bonds6

About (7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one

(7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one (PubChem CID 165380966) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is (7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one
PubChem CID165380966
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name(7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one
SMILESCC[C@@]1(C)OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OCC(F)(F)F)c4cn3)nc21
InChIInChI=1S/C23H24F3N5O3/c1-5-22(4)18-12(20(32)34-22)6-7-16(31-18)30-17-8-13-14(9-28-17)19(33-11-23(24,25)26)29-10-15(13)21(2,3)27/h6-10H,5,11,27H2,1-4H3,(H,28,30,31)/t22-/m1/s1
InChIKeyQPJDTNXQAMOKKS-JOCHJYFZSA-N
XLogP4.70
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one?
The IUPAC name of (7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one (CID 165380966) is (7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one.
What is the SMILES notation for (7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one?
The canonical SMILES for (7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one is CC[C@@]1(C)OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OCC(F)(F)F)c4cn3)nc21.
What is the InChIKey of (7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one?
The InChIKey is QPJDTNXQAMOKKS-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-5-22(4)18-12(20(32)34-22)6-7-16(31-18)30-17-8-13-14(9-28-17)19(33-11-23(24,25)26)29-10-15(13)21(2,3)27/h6-10H,5,11,27H2,1-4H3,(H,28,30,31)/t22-/m1/s1.
What are the key properties of (7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one?
(7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one has a molecular weight of 475.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one is sourced from PubChem (CID 165380966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).