2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one

C24H26F3N5O3 — CID 165380986

IUPAC2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESC[C@@H](Oc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CC(C)(C)OC4=O)ncc12)C(F)(F)F
InChIInChI=1S/C24H26F3N5O3/c1-12(24(25,26)27)34-20-15-10-29-19(8-14(15)16(11-30-20)23(4,5)28)32-18-7-6-13-17(31-18)9-22(2,3)35-21(13)33/h6-8,10-12H,9,28H2,1-5H3,(H,29,31,32)/t12-/m1/s1
InChIKeyWWTIRDDSHOOFRH-GFCCVEGCSA-N
MW489.50 g/mol
LogP4.78
Rot. Bonds5

About 2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one

2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 165380986) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID165380986
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESC[C@@H](Oc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CC(C)(C)OC4=O)ncc12)C(F)(F)F
InChIInChI=1S/C24H26F3N5O3/c1-12(24(25,26)27)34-20-15-10-29-19(8-14(15)16(11-30-20)23(4,5)28)32-18-7-6-13-17(31-18)9-22(2,3)35-21(13)33/h6-8,10-12H,9,28H2,1-5H3,(H,29,31,32)/t12-/m1/s1
InChIKeyWWTIRDDSHOOFRH-GFCCVEGCSA-N
XLogP4.78
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 165380986) is 2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for 2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The canonical SMILES for 2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is C[C@@H](Oc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CC(C)(C)OC4=O)ncc12)C(F)(F)F.
What is the InChIKey of 2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is WWTIRDDSHOOFRH-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-12(24(25,26)27)34-20-15-10-29-19(8-14(15)16(11-30-20)23(4,5)28)32-18-7-6-13-17(31-18)9-22(2,3)35-21(13)33/h6-8,10-12H,9,28H2,1-5H3,(H,29,31,32)/t12-/m1/s1.
What are the key properties of 2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 489.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).