2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one

C25H29N5O4 — CID 165381149

IUPAC2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCOC[C@@](C)(N)c1cnc(OC2CC2)c2cnc(Nc3ccc4c(n3)CC(C)(C)OC4=O)cc12
InChIInChI=1S/C25H29N5O4/c1-24(2)10-19-15(23(31)34-24)7-8-20(29-19)30-21-9-16-17(11-27-21)22(33-14-5-6-14)28-12-18(16)25(3,26)13-32-4/h7-9,11-12,14H,5-6,10,13,26H2,1-4H3,(H,27,29,30)/t25-/m1/s1
InChIKeyFKGGTOWRTQSOMZ-RUZDIDTESA-N
MW463.54 g/mol
LogP3.62
Rot. Bonds7

About 2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one

2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 165381149) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID165381149
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCOC[C@@](C)(N)c1cnc(OC2CC2)c2cnc(Nc3ccc4c(n3)CC(C)(C)OC4=O)cc12
InChIInChI=1S/C25H29N5O4/c1-24(2)10-19-15(23(31)34-24)7-8-20(29-19)30-21-9-16-17(11-27-21)22(33-14-5-6-14)28-12-18(16)25(3,26)13-32-4/h7-9,11-12,14H,5-6,10,13,26H2,1-4H3,(H,27,29,30)/t25-/m1/s1
InChIKeyFKGGTOWRTQSOMZ-RUZDIDTESA-N
XLogP3.62
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-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-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The IUPAC name of 2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 165381149) is 2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-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-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The canonical SMILES for 2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is COC[C@@](C)(N)c1cnc(OC2CC2)c2cnc(Nc3ccc4c(n3)CC(C)(C)OC4=O)cc12.
What is the InChIKey of 2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is FKGGTOWRTQSOMZ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H29N5O4/c1-24(2)10-19-15(23(31)34-24)7-8-20(29-19)30-21-9-16-17(11-27-21)22(33-14-5-6-14)28-12-18(16)25(3,26)13-32-4/h7-9,11-12,14H,5-6,10,13,26H2,1-4H3,(H,27,29,30)/t25-/m1/s1.
What are the key properties of 2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 463.54 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165381149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).