(3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C21H18F2N6O — CID 118869361

IUPAC(3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccc(F)nc2F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H18F2N6O/c1-12-11-30-9-8-29(12)18-10-15(14-2-3-17(22)26-21(14)23)13-4-6-24-20(19(13)27-18)16-5-7-25-28-16/h2-7,10,12H,8-9,11H2,1H3,(H,25,28)/t12-/m1/s1
InChIKeyMEMWYBNRXYNFCY-GFCCVEGCSA-N
MW408.41 g/mol
LogP3.59
Rot. Bonds3

About (3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869361) has the molecular formula C21H18F2N6O and a molecular weight of 408.41 g/mol. Its IUPAC name is (3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869361
Molecular FormulaC21H18F2N6O
Molecular Weight408.41 g/mol
Exact Mass408.15
IUPAC Name(3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccc(F)nc2F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H18F2N6O/c1-12-11-30-9-8-29(12)18-10-15(14-2-3-17(22)26-21(14)23)13-4-6-24-20(19(13)27-18)16-5-7-25-28-16/h2-7,10,12H,8-9,11H2,1H3,(H,25,28)/t12-/m1/s1
InChIKeyMEMWYBNRXYNFCY-GFCCVEGCSA-N
XLogP3.59
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869361) is (3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2ccc(F)nc2F)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is MEMWYBNRXYNFCY-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H18F2N6O/c1-12-11-30-9-8-29(12)18-10-15(14-2-3-17(22)26-21(14)23)13-4-6-24-20(19(13)27-18)16-5-7-25-28-16/h2-7,10,12H,8-9,11H2,1H3,(H,25,28)/t12-/m1/s1.
What are the key properties of (3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 408.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(2,6-difluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).