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

C21H22N6O2 — CID 118869588

IUPAC(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C21H22N6O2/c1-12-11-28-9-8-27(12)18-10-16(19-13(2)26-29-14(19)3)15-4-6-22-21(20(15)24-18)17-5-7-23-25-17/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,25)/t12-/m1/s1
InChIKeyBTSQQLQBVZAAPN-GFCCVEGCSA-N
MW390.45 g/mol
LogP3.52
Rot. Bonds3

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

(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869588) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869588
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C21H22N6O2/c1-12-11-28-9-8-27(12)18-10-16(19-13(2)26-29-14(19)3)15-4-6-22-21(20(15)24-18)17-5-7-23-25-17/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,25)/t12-/m1/s1
InChIKeyBTSQQLQBVZAAPN-GFCCVEGCSA-N
XLogP3.52
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869588) is (3R)-4-[4-(3,5-dimethyl-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-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is Cc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is BTSQQLQBVZAAPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-12-11-28-9-8-27(12)18-10-16(19-13(2)26-29-14(19)3)15-4-6-22-21(20(15)24-18)17-5-7-23-25-17/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,25)/t12-/m1/s1.
What are the key properties of (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 390.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).