(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

C24H32N6O3S — CID 175910796

IUPAC(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
SMILESCc1cc(-c2nsc3c(N4CCOCC4)cc(N4CCOC[C@H]4C)nc23)n(C2CCCCO2)n1
InChIInChI=1S/C24H32N6O3S/c1-16-13-18(30(26-16)21-5-3-4-9-33-21)22-23-24(34-27-22)19(28-6-10-31-11-7-28)14-20(25-23)29-8-12-32-15-17(29)2/h13-14,17,21H,3-12,15H2,1-2H3/t17-,21?/m1/s1
InChIKeyWDIWOFFAPGITHW-OQHSHRKDSA-N
MW484.63 g/mol
LogP3.62
Rot. Bonds4

About (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

(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 (PubChem CID 175910796) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID175910796
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC Name(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
SMILESCc1cc(-c2nsc3c(N4CCOCC4)cc(N4CCOC[C@H]4C)nc23)n(C2CCCCO2)n1
InChIInChI=1S/C24H32N6O3S/c1-16-13-18(30(26-16)21-5-3-4-9-33-21)22-23-24(34-27-22)19(28-6-10-31-11-7-28)14-20(25-23)29-8-12-32-15-17(29)2/h13-14,17,21H,3-12,15H2,1-2H3/t17-,21?/m1/s1
InChIKeyWDIWOFFAPGITHW-OQHSHRKDSA-N
XLogP3.62
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Related Compounds

(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-[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-(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
4-[5-morpholin-4-yl-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol
CID 175910837
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
(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
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-[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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(-c2nsc3c(N4CCOCC4)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-morpholin-4-yl-[1,2]thiazolo[4,5-b]pyridin-5-yl]morpholine?
The InChIKey is WDIWOFFAPGITHW-OQHSHRKDSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-16-13-18(30(26-16)21-5-3-4-9-33-21)22-23-24(34-27-22)19(28-6-10-31-11-7-28)14-20(25-23)29-8-12-32-15-17(29)2/h13-14,17,21H,3-12,15H2,1-2H3/t17-,21?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 484.63 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 10 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-morpholin-4-yl-[1,2]thiazolo[4,5-b]pyridin-5-yl]morpholine is sourced from PubChem (CID 175910796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).