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

C21H26N6O2 — CID 135121230

IUPAC(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(C3CCNN3)nccc12
InChIInChI=1S/C21H26N6O2/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/h4,6,10,12,17,23,25H,5,7-9,11H2,1-3H3/t12-,17?/m1/s1
InChIKeyWCQXVOWSTFYOGU-MTATWXBHSA-N
MW394.48 g/mol
LogP2.67
Rot. Bonds3

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

(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 135121230) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID135121230
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(C3CCNN3)nccc12
InChIInChI=1S/C21H26N6O2/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/h4,6,10,12,17,23,25H,5,7-9,11H2,1-3H3/t12-,17?/m1/s1
InChIKeyWCQXVOWSTFYOGU-MTATWXBHSA-N
XLogP2.67
TPSA88.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CID 137637179
CID 137637179
CID 137650954
CID 137650954
CID 137656022
CID 137656022
CID 137647775
CID 137647775
CID 118059391
CID 118059391
CID 118059565
CID 118059565
CID 118869177
CID 118869177
CID 118869179
CID 118869179
CID 118869334
CID 118869334
CID 118869415
CID 118869415
CID 118869480
CID 118869480
CID 122585631
CID 122585631

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 135121230) is (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-pyrazolidin-3-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-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine is Cc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(C3CCNN3)nccc12.
What is the InChIKey of (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is WCQXVOWSTFYOGU-MTATWXBHSA-N. The full InChI is InChI=1S/C21H26N6O2/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/h4,6,10,12,17,23,25H,5,7-9,11H2,1-3H3/t12-,17?/m1/s1.
What are the key properties of (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 394.48 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 135121230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).