[5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol

C26H27FN6O4 — CID 142593676

IUPAC[5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol
SMILESCCOc1cc(-c2ncc(CO)nc2CCc2cnc(OC)cc2-c2ncc(CO)nc2C)c(F)cn1
InChIInChI=1S/C26H27FN6O4/c1-4-37-24-8-20(21(27)12-29-24)26-22(33-18(14-35)11-31-26)6-5-16-9-28-23(36-3)7-19(16)25-15(2)32-17(13-34)10-30-25/h7-12,34-35H,4-6,13-14H2,1-3H3
InChIKeyANLMXZRKBYTTBR-UHFFFAOYSA-N
MW506.54 g/mol
LogP3.02
Rot. Bonds10

About [5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol

[5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol (PubChem CID 142593676) has the molecular formula C26H27FN6O4 and a molecular weight of 506.54 g/mol. Its IUPAC name is [5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol
PubChem CID142593676
Molecular FormulaC26H27FN6O4
Molecular Weight506.54 g/mol
Exact Mass506.21
IUPAC Name[5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol
SMILESCCOc1cc(-c2ncc(CO)nc2CCc2cnc(OC)cc2-c2ncc(CO)nc2C)c(F)cn1
InChIInChI=1S/C26H27FN6O4/c1-4-37-24-8-20(21(27)12-29-24)26-22(33-18(14-35)11-31-26)6-5-16-9-28-23(36-3)7-19(16)25-15(2)32-17(13-34)10-30-25/h7-12,34-35H,4-6,13-14H2,1-3H3
InChIKeyANLMXZRKBYTTBR-UHFFFAOYSA-N
XLogP3.02
TPSA136.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.54
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

4-(4-Fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile
CID 154644627
2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine
CID 71085880
(1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol
CID 73333857
(3R,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol
CID 57395838
(3S,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol
CID 57402817
2-{7-[(4-Fluorophenyl)methoxy]-1,5-naphthyridin-3-yl}propan-2-ol
CID 86301657
(7-((3,4-Difluorobenzyl)oxy)-1,5-naphthyridin-3-yl)methanol
CID 86301659
2-[7-[(3-Fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol
CID 86301816
2-[7-[(3,4-Difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol
CID 86301817
(1R)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 56643450
(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol
CID 57392317
1-[1-[2-(3-Fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol
CID 177378141

Frequently Asked Questions

What is the IUPAC name of [5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol?
The IUPAC name of [5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol (CID 142593676) is [5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol?
The canonical SMILES for [5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol is CCOc1cc(-c2ncc(CO)nc2CCc2cnc(OC)cc2-c2ncc(CO)nc2C)c(F)cn1.
What is the InChIKey of [5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol?
The InChIKey is ANLMXZRKBYTTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O4/c1-4-37-24-8-20(21(27)12-29-24)26-22(33-18(14-35)11-31-26)6-5-16-9-28-23(36-3)7-19(16)25-15(2)32-17(13-34)10-30-25/h7-12,34-35H,4-6,13-14H2,1-3H3.
What are the key properties of [5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol?
[5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol has a molecular weight of 506.54 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[2-[3-(2-ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 142593676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).