(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

C22H26N8O2S — CID 175910801

IUPAC(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
SMILESCc1cc(-c2nsc3c(-n4cncn4)cc(N4CCOC[C@H]4C)nc23)n(C2CCCCO2)n1
InChIInChI=1S/C22H26N8O2S/c1-14-9-16(30(26-14)19-5-3-4-7-32-19)20-21-22(33-27-20)17(29-13-23-12-24-29)10-18(25-21)28-6-8-31-11-15(28)2/h9-10,12-13,15,19H,3-8,11H2,1-2H3/t15-,19?/m1/s1
InChIKeyLRKQXCUFZKIMEP-NYRJJRHWSA-N
MW466.57 g/mol
LogP3.37
Rot. Bonds4

About (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

(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 (PubChem CID 175910801) has the molecular formula C22H26N8O2S and a molecular weight of 466.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID175910801
Molecular FormulaC22H26N8O2S
Molecular Weight466.57 g/mol
Exact Mass466.19
IUPAC Name(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
SMILESCc1cc(-c2nsc3c(-n4cncn4)cc(N4CCOC[C@H]4C)nc23)n(C2CCCCO2)n1
InChIInChI=1S/C22H26N8O2S/c1-14-9-16(30(26-14)19-5-3-4-7-32-19)20-21-22(33-27-20)17(29-13-23-12-24-29)10-18(25-21)28-6-8-31-11-15(28)2/h9-10,12-13,15,19H,3-8,11H2,1-2H3/t15-,19?/m1/s1
InChIKeyLRKQXCUFZKIMEP-NYRJJRHWSA-N
XLogP3.37
TPSA96.01 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.57
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (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 with MolForge

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Related Compounds

(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-chloro-3-[5-methyl-2-(oxetan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 175565490
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
(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
4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446399
4-[4-cyclopropyl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118869367
4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446334
(3R)-4-[5-iodo-7-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(3-methyltriazol-4-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170219329
3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 134446600
4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide
CID 156579435
3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446428
(3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 170688153

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(-c2nsc3c(-n4cncn4)cc(N4CCOC[C@H]4C)nc23)n(C2CCCCO2)n1.
What is the InChIKey of (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?
The InChIKey is LRKQXCUFZKIMEP-NYRJJRHWSA-N. The full InChI is InChI=1S/C22H26N8O2S/c1-14-9-16(30(26-14)19-5-3-4-7-32-19)20-21-22(33-27-20)17(29-13-23-12-24-29)10-18(25-21)28-6-8-31-11-15(28)2/h9-10,12-13,15,19H,3-8,11H2,1-2H3/t15-,19?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 466.57 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 175910801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).