5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile

C26H28FN5O3 — CID 11641474

IUPAC5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
SMILESCOc1ccc2ncc(F)c(CCN3CCO[C@@H](CNCc4cc(C#N)c5c(c4)CCO5)C3)c2n1
InChIInChI=1S/C26H28FN5O3/c1-33-24-3-2-23-25(31-24)21(22(27)15-30-23)4-6-32-7-9-34-20(16-32)14-29-13-17-10-18-5-8-35-26(18)19(11-17)12-28/h2-3,10-11,15,20,29H,4-9,13-14,16H2,1H3/t20-/m0/s1
InChIKeyHSPFQVCYAGBAAM-FQEVSTJZSA-N
MW477.54 g/mol
LogP2.62
Rot. Bonds8

About 5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile

5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile (PubChem CID 11641474) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile.

Molecular Properties

Compound Name5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
PubChem CID11641474
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Name5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
SMILESCOc1ccc2ncc(F)c(CCN3CCO[C@@H](CNCc4cc(C#N)c5c(c4)CCO5)C3)c2n1
InChIInChI=1S/C26H28FN5O3/c1-33-24-3-2-23-25(31-24)21(22(27)15-30-23)4-6-32-7-9-34-20(16-32)14-29-13-17-10-18-5-8-35-26(18)19(11-17)12-28/h2-3,10-11,15,20,29H,4-9,13-14,16H2,1H3/t20-/m0/s1
InChIKeyHSPFQVCYAGBAAM-FQEVSTJZSA-N
XLogP2.62
TPSA92.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile?
The IUPAC name of 5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile (CID 11641474) is 5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile.
What is the SMILES notation for 5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile?
The canonical SMILES for 5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile is COc1ccc2ncc(F)c(CCN3CCO[C@@H](CNCc4cc(C#N)c5c(c4)CCO5)C3)c2n1.
What is the InChIKey of 5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile?
The InChIKey is HSPFQVCYAGBAAM-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-33-24-3-2-23-25(31-24)21(22(27)15-30-23)4-6-32-7-9-34-20(16-32)14-29-13-17-10-18-5-8-35-26(18)19(11-17)12-28/h2-3,10-11,15,20,29H,4-9,13-14,16H2,1H3/t20-/m0/s1.
What are the key properties of 5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile?
5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile has a molecular weight of 477.54 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile is sourced from PubChem (CID 11641474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).