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

C20H20N6OS — CID 118869358

IUPAC(3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1ncc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)s1
InChIInChI=1S/C20H20N6OS/c1-12-11-27-8-7-26(12)18-9-15(17-10-22-13(2)28-17)14-3-5-21-20(19(14)24-18)16-4-6-23-25-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,25)/t12-/m1/s1
InChIKeyXTVCYRIFUFASTE-GFCCVEGCSA-N
MW392.49 g/mol
LogP3.68
Rot. Bonds3

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

(3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869358) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869358
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name(3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1ncc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)s1
InChIInChI=1S/C20H20N6OS/c1-12-11-27-8-7-26(12)18-9-15(17-10-22-13(2)28-17)14-3-5-21-20(19(14)24-18)16-4-6-23-25-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,25)/t12-/m1/s1
InChIKeyXTVCYRIFUFASTE-GFCCVEGCSA-N
XLogP3.68
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869358) is (3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1ncc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)s1.
What is the InChIKey of (3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is XTVCYRIFUFASTE-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-12-11-27-8-7-26(12)18-9-15(17-10-22-13(2)28-17)14-3-5-21-20(19(14)24-18)16-4-6-23-25-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,25)/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 392.49 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).