2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one

C22H23F2N5O3 — CID 165380848

IUPAC2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
SMILESCC(C)(N)c1cnc(OCC(F)F)c2cnc(Nc3ccc4c(n3)C(C)(C)OC4=O)cc12
InChIInChI=1S/C22H23F2N5O3/c1-21(2,25)14-9-27-19(31-10-15(23)24)13-8-26-17(7-12(13)14)28-16-6-5-11-18(29-16)22(3,4)32-20(11)30/h5-9,15H,10,25H2,1-4H3,(H,26,28,29)
InChIKeyHFKCIBCBCIKNDV-UHFFFAOYSA-N
MW443.45 g/mol
LogP4.01
Rot. Bonds6

About 2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one

2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one (PubChem CID 165380848) has the molecular formula C22H23F2N5O3 and a molecular weight of 443.45 g/mol. Its IUPAC name is 2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
PubChem CID165380848
Molecular FormulaC22H23F2N5O3
Molecular Weight443.45 g/mol
Exact Mass443.18
IUPAC Name2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
SMILESCC(C)(N)c1cnc(OCC(F)F)c2cnc(Nc3ccc4c(n3)C(C)(C)OC4=O)cc12
InChIInChI=1S/C22H23F2N5O3/c1-21(2,25)14-9-27-19(31-10-15(23)24)13-8-26-17(7-12(13)14)28-16-6-5-11-18(29-16)22(3,4)32-20(11)30/h5-9,15H,10,25H2,1-4H3,(H,26,28,29)
InChIKeyHFKCIBCBCIKNDV-UHFFFAOYSA-N
XLogP4.01
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-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-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one?
The IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one (CID 165380848) is 2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one is CC(C)(N)c1cnc(OCC(F)F)c2cnc(Nc3ccc4c(n3)C(C)(C)OC4=O)cc12.
What is the InChIKey of 2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one?
The InChIKey is HFKCIBCBCIKNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O3/c1-21(2,25)14-9-27-19(31-10-15(23)24)13-8-26-17(7-12(13)14)28-16-6-5-11-18(29-16)22(3,4)32-20(11)30/h5-9,15H,10,25H2,1-4H3,(H,26,28,29).
What are the key properties of 2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one?
2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one has a molecular weight of 443.45 g/mol, XLogP of 4.01, 6 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-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one is sourced from PubChem (CID 165380848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).