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

C27H32N6O4 — CID 118869415

IUPAC(3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOCc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C27H32N6O4/c1-17-15-35-13-11-32(17)23-14-20(25-18(2)37-31-21(25)16-34-3)19-7-9-28-27(26(19)30-23)22-8-10-29-33(22)24-6-4-5-12-36-24/h7-10,14,17,24H,4-6,11-13,15-16H2,1-3H3/t17-,24?/m1/s1
InChIKeyRLOKBODXCOYFLN-BPNWFJGMSA-N
MW504.59 g/mol
LogP4.53
Rot. Bonds6

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

(3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869415) has the molecular formula C27H32N6O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-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-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869415
Molecular FormulaC27H32N6O4
Molecular Weight504.59 g/mol
Exact Mass504.25
IUPAC Name(3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOCc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C27H32N6O4/c1-17-15-35-13-11-32(17)23-14-20(25-18(2)37-31-21(25)16-34-3)19-7-9-28-27(26(19)30-23)22-8-10-29-33(22)24-6-4-5-12-36-24/h7-10,14,17,24H,4-6,11-13,15-16H2,1-3H3/t17-,24?/m1/s1
InChIKeyRLOKBODXCOYFLN-BPNWFJGMSA-N
XLogP4.53
TPSA100.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-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-[2-(oxan-2-yl)pyrazol-3-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-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869415) is (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-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-[2-(oxan-2-yl)pyrazol-3-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-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is COCc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12.
What is the InChIKey of (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is RLOKBODXCOYFLN-BPNWFJGMSA-N. The full InChI is InChI=1S/C27H32N6O4/c1-17-15-35-13-11-32(17)23-14-20(25-18(2)37-31-21(25)16-34-3)19-7-9-28-27(26(19)30-23)22-8-10-29-33(22)24-6-4-5-12-36-24/h7-10,14,17,24H,4-6,11-13,15-16H2,1-3H3/t17-,24?/m1/s1.
What are the key properties of (3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 504.59 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 10 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-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).