4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol

C19H23N5O3S — CID 175910831

IUPAC4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol
SMILESC[C@@H]1COCCN1c1cc(C2(O)CCOCC2)c2snc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C19H23N5O3S/c1-12-11-27-9-6-24(12)15-10-13(19(25)3-7-26-8-4-19)18-17(21-15)16(23-28-18)14-2-5-20-22-14/h2,5,10,12,25H,3-4,6-9,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyIJGALRSWECRVAL-GFCCVEGCSA-N
MW401.49 g/mol
LogP2.30
Rot. Bonds3

About 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol

4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol (PubChem CID 175910831) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol.

Molecular Properties

Compound Name4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol
PubChem CID175910831
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol
SMILESC[C@@H]1COCCN1c1cc(C2(O)CCOCC2)c2snc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C19H23N5O3S/c1-12-11-27-9-6-24(12)15-10-13(19(25)3-7-26-8-4-19)18-17(21-15)16(23-28-18)14-2-5-20-22-14/h2,5,10,12,25H,3-4,6-9,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyIJGALRSWECRVAL-GFCCVEGCSA-N
XLogP2.30
TPSA96.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol with MolForge

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Related Compounds

4-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxane-4-carbonitrile
CID 167020344
(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
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
(3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride
CID 156699429
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708
3-methylimino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]prop-1-en-1-amine
CID 174037628
(3R)-3-methyl-4-[4-(4-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869269
(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-fluoro-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020320
(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
2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine
CID 134446532
(3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
CID 151175498
2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone
CID 156699447

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol?
The IUPAC name of 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) is 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol.
What is the SMILES notation for 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol?
The canonical SMILES for 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol is C[C@@H]1COCCN1c1cc(C2(O)CCOCC2)c2snc(-c3ccn[nH]3)c2n1.
What is the InChIKey of 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol?
The InChIKey is IJGALRSWECRVAL-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-12-11-27-9-6-24(12)15-10-13(19(25)3-7-26-8-4-19)18-17(21-15)16(23-28-18)14-2-5-20-22-14/h2,5,10,12,25H,3-4,6-9,11H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol?
4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol has a molecular weight of 401.49 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol is sourced from PubChem (CID 175910831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).