8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one

C23H26FN5O2 — CID 154584536

IUPAC8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one
SMILESO=C1Nc2cc(CN3CCN(c4ccc(F)cn4)CC3)cc(CO)c2C2=NCCCC12
InChIInChI=1S/C23H26FN5O2/c24-17-3-4-20(26-12-17)29-8-6-28(7-9-29)13-15-10-16(14-30)21-19(11-15)27-23(31)18-2-1-5-25-22(18)21/h3-4,10-12,18,30H,1-2,5-9,13-14H2,(H,27,31)
InChIKeyQYVREOYZWUEIGP-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.19
Rot. Bonds4

About 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one

8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 154584536) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one
PubChem CID154584536
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one
SMILESO=C1Nc2cc(CN3CCN(c4ccc(F)cn4)CC3)cc(CO)c2C2=NCCCC12
InChIInChI=1S/C23H26FN5O2/c24-17-3-4-20(26-12-17)29-8-6-28(7-9-29)13-15-10-16(14-30)21-19(11-15)27-23(31)18-2-1-5-25-22(18)21/h3-4,10-12,18,30H,1-2,5-9,13-14H2,(H,27,31)
InChIKeyQYVREOYZWUEIGP-UHFFFAOYSA-N
XLogP2.19
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one (CID 154584536) is 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one is O=C1Nc2cc(CN3CCN(c4ccc(F)cn4)CC3)cc(CO)c2C2=NCCCC12.
What is the InChIKey of 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is QYVREOYZWUEIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c24-17-3-4-20(26-12-17)29-8-6-28(7-9-29)13-15-10-16(14-30)21-19(11-15)27-23(31)18-2-1-5-25-22(18)21/h3-4,10-12,18,30H,1-2,5-9,13-14H2,(H,27,31).
What are the key properties of 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one?
8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 423.49 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-(hydroxymethyl)-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 154584536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).