(4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one

C14H15N5O2S — CID 97018535

IUPAC(4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2nccs2)C1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C14H15N5O2S/c20-12-5-9(8-19(12)14-15-2-4-22-14)13(21)18-3-1-11-10(7-18)6-16-17-11/h2,4,6,9H,1,3,5,7-8H2,(H,16,17)/t9-/m0/s1
InChIKeyQOWKGYZUQQLSQM-VIFPVBQESA-N
MW317.37 g/mol
LogP0.80
Rot. Bonds2

About (4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one

(4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 97018535) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is (4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID97018535
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name(4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2nccs2)C1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C14H15N5O2S/c20-12-5-9(8-19(12)14-15-2-4-22-14)13(21)18-3-1-11-10(7-18)6-16-17-11/h2,4,6,9H,1,3,5,7-8H2,(H,16,17)/t9-/m0/s1
InChIKeyQOWKGYZUQQLSQM-VIFPVBQESA-N
XLogP0.80
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 154564256
cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 130872132
2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 154820440
1-(2,3-dimethylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 42930463
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 154564093
1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one
CID 154820263
4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 131941781
[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-bicyclo[2.2.2]octanyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 166234515
trifluoromethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
CID 153306399
(4R)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 38474545
5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 155939438
N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155510039

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one (CID 97018535) is (4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one is O=C([C@H]1CC(=O)N(c2nccs2)C1)N1CCc2[nH]ncc2C1.
What is the InChIKey of (4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is QOWKGYZUQQLSQM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N5O2S/c20-12-5-9(8-19(12)14-15-2-4-22-14)13(21)18-3-1-11-10(7-18)6-16-17-11/h2,4,6,9H,1,3,5,7-8H2,(H,16,17)/t9-/m0/s1.
What are the key properties of (4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
(4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 317.37 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 97018535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).