[3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol

C25H30N4O3 — CID 126601785

IUPAC[3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol
SMILESC[C@H]1COCCN1c1cc2nc(-c3cccc(CO)c3)ccc2c(N2CCOC[C@@H]2C)n1
InChIInChI=1S/C25H30N4O3/c1-17-15-31-10-8-28(17)24-13-23-21(25(27-24)29-9-11-32-16-18(29)2)6-7-22(26-23)20-5-3-4-19(12-20)14-30/h3-7,12-13,17-18,30H,8-11,14-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyJNQXWDGTUMWKBX-ROUUACIJSA-N
MW434.54 g/mol
LogP3.24
Rot. Bonds4

About [3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol

[3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol (PubChem CID 126601785) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is [3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol
PubChem CID126601785
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name[3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol
SMILESC[C@H]1COCCN1c1cc2nc(-c3cccc(CO)c3)ccc2c(N2CCOC[C@@H]2C)n1
InChIInChI=1S/C25H30N4O3/c1-17-15-31-10-8-28(17)24-13-23-21(25(27-24)29-9-11-32-16-18(29)2)6-7-22(26-23)20-5-3-4-19(12-20)14-30/h3-7,12-13,17-18,30H,8-11,14-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyJNQXWDGTUMWKBX-ROUUACIJSA-N
XLogP3.24
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol?
The IUPAC name of [3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol (CID 126601785) is [3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol is C[C@H]1COCCN1c1cc2nc(-c3cccc(CO)c3)ccc2c(N2CCOC[C@@H]2C)n1.
What is the InChIKey of [3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol?
The InChIKey is JNQXWDGTUMWKBX-ROUUACIJSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17-15-31-10-8-28(17)24-13-23-21(25(27-24)29-9-11-32-16-18(29)2)6-7-22(26-23)20-5-3-4-19(12-20)14-30/h3-7,12-13,17-18,30H,8-11,14-16H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of [3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol?
[3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol has a molecular weight of 434.54 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,6-naphthyridin-2-yl]phenyl]methanol is sourced from PubChem (CID 126601785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).