(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine

C20H18F3N7O — CID 118869517

IUPAC(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cn[nH]c2C(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C20H18F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-26-29-19(14)20(21,22)23)12-2-4-24-18(17(12)27-16)15-3-5-25-28-15/h2-5,8-9,11H,6-7,10H2,1H3,(H,25,28)(H,26,29)/t11-/m1/s1
InChIKeyVCGTXINEJSPRPB-LLVKDONJSA-N
MW429.41 g/mol
LogP3.65
Rot. Bonds3

About (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine

(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869517) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869517
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC Name(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cn[nH]c2C(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C20H18F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-26-29-19(14)20(21,22)23)12-2-4-24-18(17(12)27-16)15-3-5-25-28-15/h2-5,8-9,11H,6-7,10H2,1H3,(H,25,28)(H,26,29)/t11-/m1/s1
InChIKeyVCGTXINEJSPRPB-LLVKDONJSA-N
XLogP3.65
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine (CID 118869517) is (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine is C[C@@H]1COCCN1c1cc(-c2cn[nH]c2C(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is VCGTXINEJSPRPB-LLVKDONJSA-N. The full InChI is InChI=1S/C20H18F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-26-29-19(14)20(21,22)23)12-2-4-24-18(17(12)27-16)15-3-5-25-28-15/h2-5,8-9,11H,6-7,10H2,1H3,(H,25,28)(H,26,29)/t11-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 429.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).