(3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

C26H27FN6O2 — CID 118890778

IUPAC(3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cccc(F)n2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C26H27FN6O2/c1-17-16-34-14-12-32(17)23-15-19(20-5-4-6-22(27)30-20)18-8-10-28-26(25(18)31-23)21-9-11-29-33(21)24-7-2-3-13-35-24/h4-6,8-11,15,17,24H,2-3,7,12-14,16H2,1H3/t17-,24?/m1/s1
InChIKeyIJZNZCRWUAJZEB-BPNWFJGMSA-N
MW474.54 g/mol
LogP4.62
Rot. Bonds4

About (3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118890778) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is (3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118890778
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name(3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cccc(F)n2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C26H27FN6O2/c1-17-16-34-14-12-32(17)23-15-19(20-5-4-6-22(27)30-20)18-8-10-28-26(25(18)31-23)21-9-11-29-33(21)24-7-2-3-13-35-24/h4-6,8-11,15,17,24H,2-3,7,12-14,16H2,1H3/t17-,24?/m1/s1
InChIKeyIJZNZCRWUAJZEB-BPNWFJGMSA-N
XLogP4.62
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118890778) is (3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2cccc(F)n2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of (3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is IJZNZCRWUAJZEB-BPNWFJGMSA-N. The full InChI is InChI=1S/C26H27FN6O2/c1-17-16-34-14-12-32(17)23-15-19(20-5-4-6-22(27)30-20)18-8-10-28-26(25(18)31-23)21-9-11-29-33(21)24-7-2-3-13-35-24/h4-6,8-11,15,17,24H,2-3,7,12-14,16H2,1H3/t17-,24?/m1/s1.
What are the key properties of (3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 474.54 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(6-fluoro-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118890778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).