(4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one

C16H17N5O2S — CID 122191641

IUPAC(4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2cnn(C)c2)cc2ncsc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C16H17N5O2S/c1-9(10-3-14(22)17-5-10)23-16-15-13(18-8-24-15)4-12(20-16)11-6-19-21(2)7-11/h4,6-10H,3,5H2,1-2H3,(H,17,22)/t9-,10-/m1/s1
InChIKeyARQUPPGWWWYWOI-NXEZZACHSA-N
MW343.41 g/mol
LogP2.00
Rot. Bonds4

About (4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 122191641) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one
PubChem CID122191641
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name(4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2cnn(C)c2)cc2ncsc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C16H17N5O2S/c1-9(10-3-14(22)17-5-10)23-16-15-13(18-8-24-15)4-12(20-16)11-6-19-21(2)7-11/h4,6-10H,3,5H2,1-2H3,(H,17,22)/t9-,10-/m1/s1
InChIKeyARQUPPGWWWYWOI-NXEZZACHSA-N
XLogP2.00
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-4-((1R)-1-(6-(1-tert-butylpyrazol-4-yl)-2-methyl-pyrazolo(4,3-c)pyridin-4-yl)oxyethyl)pyrrolidin-2-one
CID 118386410
(4r)-4-[(1r)-1-{[6-(3,4-Dimethoxyphenyl)[1,3]thiazolo[5,4-C]pyridin-4-Yl]oxy}ethyl]pyrrolidin-2-One
CID 91885526
US9914735, Example 10
CID 118386426
US9914735, Example 35
CID 118401370
(5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one
CID 122191639
(4R)-4-[(1R)-1-[[5-(1-methylpyrazol-4-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
CID 122191640
(4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,2]thiazolo[4,3-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one
CID 122191643
US9914735, Example 51
CID 118401290
US9914735, Example 15
CID 118401303
US9914735, Example 61
CID 122498425
US10947243, Example 83
CID 134336016
US9914735, Example 82
CID 118386408

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one (CID 122191641) is (4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2cnn(C)c2)cc2ncsc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is ARQUPPGWWWYWOI-NXEZZACHSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-9(10-3-14(22)17-5-10)23-16-15-13(18-8-24-15)4-12(20-16)11-6-19-21(2)7-11/h4,6-10H,3,5H2,1-2H3,(H,17,22)/t9-,10-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 343.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 122191641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).