2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C20H20N4O3 — CID 175953786

IUPAC2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc4ccc(O[C@H]5CCCOC5)nc34)cc21
InChIInChI=1S/C20H20N4O3/c25-20-14-10-17(23-15(14)6-8-22-20)13-5-7-21-16-3-4-18(24-19(13)16)27-12-2-1-9-26-11-12/h3-5,7,10,12,23H,1-2,6,8-9,11H2,(H,22,25)/t12-/m0/s1
InChIKeyZMGXVLQVVCAKQE-LBPRGKRZSA-N
MW364.41 g/mol
LogP2.47
Rot. Bonds3

About 2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 175953786) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID175953786
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc4ccc(O[C@H]5CCCOC5)nc34)cc21
InChIInChI=1S/C20H20N4O3/c25-20-14-10-17(23-15(14)6-8-22-20)13-5-7-21-16-3-4-18(24-19(13)16)27-12-2-1-9-26-11-12/h3-5,7,10,12,23H,1-2,6,8-9,11H2,(H,22,25)/t12-/m0/s1
InChIKeyZMGXVLQVVCAKQE-LBPRGKRZSA-N
XLogP2.47
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 175953786) is 2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccnc4ccc(O[C@H]5CCCOC5)nc34)cc21.
What is the InChIKey of 2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZMGXVLQVVCAKQE-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20-14-10-17(23-15(14)6-8-22-20)13-5-7-21-16-3-4-18(24-19(13)16)27-12-2-1-9-26-11-12/h3-5,7,10,12,23H,1-2,6,8-9,11H2,(H,22,25)/t12-/m0/s1.
What are the key properties of 2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 364.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 175953786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).