5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile

C26H28FN5O3 — CID 44529580

IUPAC5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
SMILESCOc1ccc2ncc(F)c([C@@H](O)CN3CCC(NCc4cc(C#N)c5c(c4)CCO5)CC3)c2n1
InChIInChI=1S/C26H28FN5O3/c1-34-23-3-2-21-25(31-23)24(20(27)14-30-21)22(33)15-32-7-4-19(5-8-32)29-13-16-10-17-6-9-35-26(17)18(11-16)12-28/h2-3,10-11,14,19,22,29,33H,4-9,13,15H2,1H3/t22-/m0/s1
InChIKeyHVFIFDITXVRSON-QFIPXVFZSA-N
MW477.54 g/mol
LogP2.87
Rot. Bonds7

About 5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile

5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile (PubChem CID 44529580) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile.

Molecular Properties

Compound Name5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
PubChem CID44529580
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Name5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
SMILESCOc1ccc2ncc(F)c([C@@H](O)CN3CCC(NCc4cc(C#N)c5c(c4)CCO5)CC3)c2n1
InChIInChI=1S/C26H28FN5O3/c1-34-23-3-2-21-25(31-23)24(20(27)14-30-21)22(33)15-32-7-4-19(5-8-32)29-13-16-10-17-6-9-35-26(17)18(11-16)12-28/h2-3,10-11,14,19,22,29,33H,4-9,13,15H2,1H3/t22-/m0/s1
InChIKeyHVFIFDITXVRSON-QFIPXVFZSA-N
XLogP2.87
TPSA103.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile?
The IUPAC name of 5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile (CID 44529580) is 5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile.
What is the SMILES notation for 5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile?
The canonical SMILES for 5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile is COc1ccc2ncc(F)c([C@@H](O)CN3CCC(NCc4cc(C#N)c5c(c4)CCO5)CC3)c2n1.
What is the InChIKey of 5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile?
The InChIKey is HVFIFDITXVRSON-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-34-23-3-2-21-25(31-23)24(20(27)14-30-21)22(33)15-32-7-4-19(5-8-32)29-13-16-10-17-6-9-35-26(17)18(11-16)12-28/h2-3,10-11,14,19,22,29,33H,4-9,13,15H2,1H3/t22-/m0/s1.
What are the key properties of 5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile?
5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile has a molecular weight of 477.54 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-[(2R)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile is sourced from PubChem (CID 44529580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).