(3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine

C15H19N7O — CID 169035109

IUPAC(3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nnn(C)c1-c1cc(N2CCOC[C@H]2C)nc2ccnn12
InChIInChI=1S/C15H19N7O/c1-10-9-23-7-6-21(10)14-8-12(15-11(2)18-19-20(15)3)22-13(17-14)4-5-16-22/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m1/s1
InChIKeyFEVZGSKXNNRTMG-SNVBAGLBSA-N
MW313.37 g/mol
LogP1.06
Rot. Bonds2

About (3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine

(3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (PubChem CID 169035109) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is (3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
PubChem CID169035109
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name(3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nnn(C)c1-c1cc(N2CCOC[C@H]2C)nc2ccnn12
InChIInChI=1S/C15H19N7O/c1-10-9-23-7-6-21(10)14-8-12(15-11(2)18-19-20(15)3)22-13(17-14)4-5-16-22/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m1/s1
InChIKeyFEVZGSKXNNRTMG-SNVBAGLBSA-N
XLogP1.06
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3,5-dimethyltriazol-4-yl)-3-methyl-6-(3-methylmorpholin-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 170305522
(3R)-4-[4-(3,5-dimethyltriazol-4-yl)-5-methyl-7-(1H-pyrrol-2-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170219728
(3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 169429009
[4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol
CID 165437035
[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]-1H-indol-6-yl]methanol
CID 139406054
(3R)-4-[5-fluoro-4,7-bis(2-methylpyrazol-3-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170224825
1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone
CID 170928633
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 155376118
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406180

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (CID 169035109) is (3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is Cc1nnn(C)c1-c1cc(N2CCOC[C@H]2C)nc2ccnn12.
What is the InChIKey of (3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The InChIKey is FEVZGSKXNNRTMG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N7O/c1-10-9-23-7-6-21(10)14-8-12(15-11(2)18-19-20(15)3)22-13(17-14)4-5-16-22/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
(3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine has a molecular weight of 313.37 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 169035109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).