(3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C22H24N6O3 — CID 118869177

IUPAC(3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOCc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H24N6O3/c1-13-11-30-9-8-28(13)19-10-16(20-14(2)31-27-18(20)12-29-3)15-4-6-23-22(21(15)25-19)17-5-7-24-26-17/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeyFXMYRFODUTXFSB-CYBMUJFWSA-N
MW420.47 g/mol
LogP3.35
Rot. Bonds5

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

(3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869177) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869177
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name(3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOCc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H24N6O3/c1-13-11-30-9-8-28(13)19-10-16(20-14(2)31-27-18(20)12-29-3)15-4-6-23-22(21(15)25-19)17-5-7-24-26-17/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeyFXMYRFODUTXFSB-CYBMUJFWSA-N
XLogP3.35
TPSA102.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869177) is (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is COCc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is FXMYRFODUTXFSB-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-13-11-30-9-8-28(13)19-10-16(20-14(2)31-27-18(20)12-29-3)15-4-6-23-22(21(15)25-19)17-5-7-24-26-17/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,24,26)/t13-/m1/s1.
What are the key properties of (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 420.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).