(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine

C19H21N7O2 — CID 163822192

IUPAC(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C19H21N7O2/c1-11-10-27-7-6-25(11)17-8-16(18-12(2)24-28-13(18)3)26-19(22-17)14(9-21-26)15-4-5-20-23-15/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,20,23)/t11-/m1/s1
InChIKeyNWJCJEWECSEZBQ-LLVKDONJSA-N
MW379.42 g/mol
LogP2.62
Rot. Bonds3

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

(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (PubChem CID 163822192) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
PubChem CID163822192
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C19H21N7O2/c1-11-10-27-7-6-25(11)17-8-16(18-12(2)24-28-13(18)3)26-19(22-17)14(9-21-26)15-4-5-20-23-15/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,20,23)/t11-/m1/s1
InChIKeyNWJCJEWECSEZBQ-LLVKDONJSA-N
XLogP2.62
TPSA97.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine with MolForge

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Related Compounds

(3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
CID 168678884
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061239
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061194
5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]-1H-pyridin-2-one
CID 170194206
5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide
CID 170194211
4-[8-cyclohexyl-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine
CID 155454521
(3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 169096561
8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 177313437
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
(3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 155454721
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061181
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (CID 163822192) is (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is Cc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12.
What is the InChIKey of (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The InChIKey is NWJCJEWECSEZBQ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-11-10-27-7-6-25(11)17-8-16(18-12(2)24-28-13(18)3)26-19(22-17)14(9-21-26)15-4-5-20-23-15/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,20,23)/t11-/m1/s1.
What are the key properties of (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine has a molecular weight of 379.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 163822192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).