methyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate

C23H27N5O4 — CID 118869205

IUPACmethyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C23H27N5O4/c1-15-14-31-12-10-27(15)19-13-17(23(29)30-2)16-6-8-24-22(21(16)26-19)18-7-9-25-28(18)20-5-3-4-11-32-20/h6-9,13,15,20H,3-5,10-12,14H2,1-2H3/t15-,20?/m1/s1
InChIKeyQIORODDKJPVVLW-IWPPFLRJSA-N
MW437.50 g/mol
LogP3.20
Rot. Bonds4

About methyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate

methyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate (PubChem CID 118869205) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is methyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate
PubChem CID118869205
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Namemethyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C23H27N5O4/c1-15-14-31-12-10-27(15)19-13-17(23(29)30-2)16-6-8-24-22(21(16)26-19)18-7-9-25-28(18)20-5-3-4-11-32-20/h6-9,13,15,20H,3-5,10-12,14H2,1-2H3/t15-,20?/m1/s1
InChIKeyQIORODDKJPVVLW-IWPPFLRJSA-N
XLogP3.20
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate (CID 118869205) is methyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate is COC(=O)c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12.
What is the InChIKey of methyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate?
The InChIKey is QIORODDKJPVVLW-IWPPFLRJSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-15-14-31-12-10-27(15)19-13-17(23(29)30-2)16-6-8-24-22(21(16)26-19)18-7-9-25-28(18)20-5-3-4-11-32-20/h6-9,13,15,20H,3-5,10-12,14H2,1-2H3/t15-,20?/m1/s1.
What are the key properties of methyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate?
methyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 118869205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).