(3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine

C19H26N8OS — CID 169429009

IUPAC(3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
SMILESCc1nnn(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(C3CC(C)NN3)nsc12
InChIInChI=1S/C19H26N8OS/c1-10-7-14(23-21-10)16-17-19(29-24-16)13(18-12(3)22-25-26(18)4)8-15(20-17)27-5-6-28-9-11(27)2/h8,10-11,14,21,23H,5-7,9H2,1-4H3/t10?,11-,14?/m1/s1
InChIKeyBNMXXYGSBYYEPS-IQLKVPPVSA-N
MW414.54 g/mol
LogP1.95
Rot. Bonds3

About (3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine

(3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine (PubChem CID 169429009) has the molecular formula C19H26N8OS and a molecular weight of 414.54 g/mol. Its IUPAC name is (3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
PubChem CID169429009
Molecular FormulaC19H26N8OS
Molecular Weight414.54 g/mol
Exact Mass414.20
IUPAC Name(3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
SMILESCc1nnn(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(C3CC(C)NN3)nsc12
InChIInChI=1S/C19H26N8OS/c1-10-7-14(23-21-10)16-17-19(29-24-16)13(18-12(3)22-25-26(18)4)8-15(20-17)27-5-6-28-9-11(27)2/h8,10-11,14,21,23H,5-7,9H2,1-4H3/t10?,11-,14?/m1/s1
InChIKeyBNMXXYGSBYYEPS-IQLKVPPVSA-N
XLogP1.95
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine with MolForge

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Related Compounds

(3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
CID 169035109
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
iodo-[5-[5-[(3R)-3-methylmorpholin-4-yl]-7-(2-methylpyrazol-3-yl)-[1,2]thiazolo[4,5-b]pyridin-3-yl]pyrazol-1-yl]phosphane
CID 170222111
[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]-1H-indol-6-yl]methanol
CID 139406054
[4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol
CID 165437035
(3R)-4-[7-(3-cyclopropyltriazol-4-yl)-3-(5-methyl-1H-pyrazol-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 175910799
5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one
CID 175910835
(3R)-3-methyl-4-[3-(5-methyl-1H-pyrazol-3-yl)-7-(oxan-4-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]morpholine
CID 175565529
7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one
CID 170224474
(3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 169061207
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?
The IUPAC name of (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) is (3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine is Cc1nnn(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(C3CC(C)NN3)nsc12.
What is the InChIKey of (3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?
The InChIKey is BNMXXYGSBYYEPS-IQLKVPPVSA-N. The full InChI is InChI=1S/C19H26N8OS/c1-10-7-14(23-21-10)16-17-19(29-24-16)13(18-12(3)22-25-26(18)4)8-15(20-17)27-5-6-28-9-11(27)2/h8,10-11,14,21,23H,5-7,9H2,1-4H3/t10?,11-,14?/m1/s1.
What are the key properties of (3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine?
(3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine has a molecular weight of 414.54 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 169429009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).