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

C22H25N5O4 — CID 118890843

IUPAC2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid
SMILESC[C@@H]1COCCN1c1cc(C(=O)O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C22H25N5O4/c1-14-13-30-11-9-26(14)18-12-16(22(28)29)15-5-7-23-21(20(15)25-18)17-6-8-24-27(17)19-4-2-3-10-31-19/h5-8,12,14,19H,2-4,9-11,13H2,1H3,(H,28,29)/t14-,19?/m1/s1
InChIKeyXGDHNOIDTJNMRV-MJTSIZKDSA-N
MW423.47 g/mol
LogP3.12
Rot. Bonds4

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

2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid (PubChem CID 118890843) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid
PubChem CID118890843
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid
SMILESC[C@@H]1COCCN1c1cc(C(=O)O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C22H25N5O4/c1-14-13-30-11-9-26(14)18-12-16(22(28)29)15-5-7-23-21(20(15)25-18)17-6-8-24-27(17)19-4-2-3-10-31-19/h5-8,12,14,19H,2-4,9-11,13H2,1H3,(H,28,29)/t14-,19?/m1/s1
InChIKeyXGDHNOIDTJNMRV-MJTSIZKDSA-N
XLogP3.12
TPSA102.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid (CID 118890843) is 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid is C[C@@H]1COCCN1c1cc(C(=O)O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid?
The InChIKey is XGDHNOIDTJNMRV-MJTSIZKDSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14-13-30-11-9-26(14)18-12-16(22(28)29)15-5-7-23-21(20(15)25-18)17-6-8-24-27(17)19-4-2-3-10-31-19/h5-8,12,14,19H,2-4,9-11,13H2,1H3,(H,28,29)/t14-,19?/m1/s1.
What are the key properties of 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid?
2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid has a molecular weight of 423.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 118890843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).