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

C23H25F2N5O3 — CID 165380874

IUPAC2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCC1(C)Cc2nc(Nc3cc4c(C(C)(C)N)cnc(OCC(F)F)c4cn3)ccc2C(=O)O1
InChIInChI=1S/C23H25F2N5O3/c1-22(2)8-16-12(21(31)33-22)5-6-18(29-16)30-19-7-13-14(9-27-19)20(32-11-17(24)25)28-10-15(13)23(3,4)26/h5-7,9-10,17H,8,11,26H2,1-4H3,(H,27,29,30)
InChIKeyCVGVJHWQWJBWPC-UHFFFAOYSA-N
MW457.48 g/mol
LogP4.10
Rot. Bonds6

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

2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 165380874) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is 2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID165380874
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC Name2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCC1(C)Cc2nc(Nc3cc4c(C(C)(C)N)cnc(OCC(F)F)c4cn3)ccc2C(=O)O1
InChIInChI=1S/C23H25F2N5O3/c1-22(2)8-16-12(21(31)33-22)5-6-18(29-16)30-19-7-13-14(9-27-19)20(32-11-17(24)25)28-10-15(13)23(3,4)26/h5-7,9-10,17H,8,11,26H2,1-4H3,(H,27,29,30)
InChIKeyCVGVJHWQWJBWPC-UHFFFAOYSA-N
XLogP4.10
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.10
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-dimethyl-8H-pyrano[4,3-b]pyridin-5-one with MolForge

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Related Compounds

2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380857
(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380858
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380929
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165381017
(8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165381035
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3-fluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165381130
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165381166
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165381216
2-[[5-[(2R)-2-aminobutan-2-yl]-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
CID 165380803
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
(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
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

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-dimethyl-8H-pyrano[4,3-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-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 165380874) is 2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is CC1(C)Cc2nc(Nc3cc4c(C(C)(C)N)cnc(OCC(F)F)c4cn3)ccc2C(=O)O1.
What is the InChIKey of 2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is CVGVJHWQWJBWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-22(2)8-16-12(21(31)33-22)5-6-18(29-16)30-19-7-13-14(9-27-19)20(32-11-17(24)25)28-10-15(13)23(3,4)26/h5-7,9-10,17H,8,11,26H2,1-4H3,(H,27,29,30).
What are the key properties of 2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 457.48 g/mol, XLogP of 4.10, 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-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).