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

C21H26N6O2 — CID 130228514

IUPAC(3R)-3-methyl-4-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(N3CCOCC3)c12
InChIInChI=1S/C21H26N6O2/c1-14-12-22-20(16-3-4-23-25-16)21-19(14)17(26-5-8-28-9-6-26)11-18(24-21)27-7-10-29-13-15(27)2/h3-4,11-12,15H,5-10,13H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyTVUJLFLMPOLNJM-OAHLLOKOSA-N
MW394.48 g/mol
LogP2.39
Rot. Bonds3

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

(3R)-3-methyl-4-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 130228514) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is (3R)-3-methyl-4-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID130228514
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name(3R)-3-methyl-4-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(N3CCOCC3)c12
InChIInChI=1S/C21H26N6O2/c1-14-12-22-20(16-3-4-23-25-16)21-19(14)17(26-5-8-28-9-6-26)11-18(24-21)27-7-10-29-13-15(27)2/h3-4,11-12,15H,5-10,13H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyTVUJLFLMPOLNJM-OAHLLOKOSA-N
XLogP2.39
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.39
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-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 130228514) is (3R)-3-methyl-4-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(N3CCOCC3)c12.
What is the InChIKey of (3R)-3-methyl-4-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is TVUJLFLMPOLNJM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-14-12-22-20(16-3-4-23-25-16)21-19(14)17(26-5-8-28-9-6-26)11-18(24-21)27-7-10-29-13-15(27)2/h3-4,11-12,15H,5-10,13H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 394.48 g/mol, XLogP of 2.39, 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-[5-methyl-4-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 130228514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).