(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

C20H25N5O2S — CID 175565529

IUPAC(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
SMILESCc1cc(-c2nsc3c(C4CCOCC4)cc(N4CCOC[C@H]4C)nc23)n[nH]1
InChIInChI=1S/C20H25N5O2S/c1-12-9-16(23-22-12)18-19-20(28-24-18)15(14-3-6-26-7-4-14)10-17(21-19)25-5-8-27-11-13(25)2/h9-10,13-14H,3-8,11H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyNHXPFIZSOBKYFM-CYBMUJFWSA-N
MW399.52 g/mol
LogP3.51
Rot. Bonds3

About (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

(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 (PubChem CID 175565529) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID175565529
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name(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
SMILESCc1cc(-c2nsc3c(C4CCOCC4)cc(N4CCOC[C@H]4C)nc23)n[nH]1
InChIInChI=1S/C20H25N5O2S/c1-12-9-16(23-22-12)18-19-20(28-24-18)15(14-3-6-26-7-4-14)10-17(21-19)25-5-8-27-11-13(25)2/h9-10,13-14H,3-8,11H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyNHXPFIZSOBKYFM-CYBMUJFWSA-N
XLogP3.51
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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
4-(4-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)-3-methylmorpholine
CID 178015868
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
(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-[1-methyl-7-(oxolan-3-yl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
CID 156699437
(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
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
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1-oxo-[1,2]thiazolo[4,5-b]pyridin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061203
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
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)-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
(3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 169061207

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(-c2nsc3c(C4CCOCC4)cc(N4CCOC[C@H]4C)nc23)n[nH]1.
What is the InChIKey of (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?
The InChIKey is NHXPFIZSOBKYFM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-12-9-16(23-22-12)18-19-20(28-24-18)15(14-3-6-26-7-4-14)10-17(21-19)25-5-8-27-11-13(25)2/h9-10,13-14H,3-8,11H2,1-2H3,(H,22,23)/t13-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 399.52 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 175565529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).