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

C23H29N5O4S — CID 175910837

IUPAC4-[5-morpholin-4-yl-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol
SMILESOC1(c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nsc23)CCOCC1
InChIInChI=1S/C23H29N5O4S/c29-23(5-11-30-12-6-23)16-15-18(27-8-13-31-14-9-27)25-21-20(26-33-22(16)21)17-4-7-24-28(17)19-3-1-2-10-32-19/h4,7,15,19,29H,1-3,5-6,8-14H2
InChIKeyZODQVDBLLKZHRW-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.09
Rot. Bonds4

About 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

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 (PubChem CID 175910837) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[5-morpholin-4-yl-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol
PubChem CID175910837
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name4-[5-morpholin-4-yl-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol
SMILESOC1(c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nsc23)CCOCC1
InChIInChI=1S/C23H29N5O4S/c29-23(5-11-30-12-6-23)16-15-18(27-8-13-31-14-9-27)25-21-20(26-33-22(16)21)17-4-7-24-28(17)19-3-1-2-10-32-19/h4,7,15,19,29H,1-3,5-6,8-14H2
InChIKeyZODQVDBLLKZHRW-UHFFFAOYSA-N
XLogP3.09
TPSA94.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869091
(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-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-[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-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 118869130
(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
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-[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
5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 131731838
4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677649
4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 155454506

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is OC1(c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nsc23)CCOCC1.
What is the InChIKey of 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?
The InChIKey is ZODQVDBLLKZHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c29-23(5-11-30-12-6-23)16-15-18(27-8-13-31-14-9-27)25-21-20(26-33-22(16)21)17-4-7-24-28(17)19-3-1-2-10-32-19/h4,7,15,19,29H,1-3,5-6,8-14H2.
What are the key properties of 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?
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 has a molecular weight of 471.58 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175910837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).