(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

C20H22N8OS — CID 175910799

IUPAC(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
SMILESCc1cc(-c2nsc3c(-c4cnnn4C4CC4)cc(N4CCOC[C@H]4C)nc23)n[nH]1
InChIInChI=1S/C20H22N8OS/c1-11-7-15(24-23-11)18-19-20(30-25-18)14(16-9-21-26-28(16)13-3-4-13)8-17(22-19)27-5-6-29-10-12(27)2/h7-9,12-13H,3-6,10H2,1-2H3,(H,23,24)/t12-/m1/s1
InChIKeyMQGMCRLPGADHEJ-GFCCVEGCSA-N
MW422.52 g/mol
LogP3.21
Rot. Bonds4

About (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

(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 (PubChem CID 175910799) has the molecular formula C20H22N8OS and a molecular weight of 422.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID175910799
Molecular FormulaC20H22N8OS
Molecular Weight422.52 g/mol
Exact Mass422.16
IUPAC Name(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
SMILESCc1cc(-c2nsc3c(-c4cnnn4C4CC4)cc(N4CCOC[C@H]4C)nc23)n[nH]1
InChIInChI=1S/C20H22N8OS/c1-11-7-15(24-23-11)18-19-20(30-25-18)14(16-9-21-26-28(16)13-3-4-13)8-17(22-19)27-5-6-29-10-12(27)2/h7-9,12-13H,3-6,10H2,1-2H3,(H,23,24)/t12-/m1/s1
InChIKeyMQGMCRLPGADHEJ-GFCCVEGCSA-N
XLogP3.21
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(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
(3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 175910822
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
trimethyl-[2-[[3-methyl-5-[5-[(3R)-3-methylmorpholin-4-yl]-7-(2H-triazol-4-yl)-[1,2]thiazolo[4,5-b]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane
CID 175910779
(3R)-4-[7-chloro-3-[5-methyl-2-(oxetan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 175565490
(3R)-3-methyl-4-[3-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-7-morpholin-4-yl-[1,2]thiazolo[4,5-b]pyridin-5-yl]morpholine
CID 175910796
(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
(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
CID 175136170
(3R)-3-methyl-4-[3-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-7-(1,2,4-triazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]morpholine
CID 175910801
2-methyl-2-[5-[(3R)-3-methylmorpholin-4-yl]-3-[5-methyl-2-(oxetan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-7-yl]propanenitrile
CID 175565507
4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol
CID 175910831
4-(4-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)-3-methylmorpholine
CID 178015868

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(-c2nsc3c(-c4cnnn4C4CC4)cc(N4CCOC[C@H]4C)nc23)n[nH]1.
What is the InChIKey of (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?
The InChIKey is MQGMCRLPGADHEJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22N8OS/c1-11-7-15(24-23-11)18-19-20(30-25-18)14(16-9-21-26-28(16)13-3-4-13)8-17(22-19)27-5-6-29-10-12(27)2/h7-9,12-13H,3-6,10H2,1-2H3,(H,23,24)/t12-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 422.52 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 175910799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).