4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one

C16H17FN4OS — CID 137266385

IUPAC4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
SMILESCc1nsc2c1C(C1CNNC1c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C16H17FN4OS/c1-8-14-11(6-13(22)19-16(14)23-21-8)12-7-18-20-15(12)9-3-2-4-10(17)5-9/h2-5,11-12,15,18,20H,6-7H2,1H3,(H,19,22)
InChIKeyPHELRGQDYHTQGO-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.48
Rot. Bonds2

About 4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one

4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one (PubChem CID 137266385) has the molecular formula C16H17FN4OS and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
PubChem CID137266385
Molecular FormulaC16H17FN4OS
Molecular Weight332.40 g/mol
Exact Mass332.11
IUPAC Name4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
SMILESCc1nsc2c1C(C1CNNC1c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C16H17FN4OS/c1-8-14-11(6-13(22)19-16(14)23-21-8)12-7-18-20-15(12)9-3-2-4-10(17)5-9/h2-5,11-12,15,18,20H,6-7H2,1H3,(H,19,22)
InChIKeyPHELRGQDYHTQGO-UHFFFAOYSA-N
XLogP2.48
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 135988405
4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 75592833
3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione
CID 79320869
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide
CID 78083937
(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
CID 95437342
1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
CID 134127855
(4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 136820684
(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
CID 95369037
(4S)-4-(3-fluorophenyl)-1-(4-methoxyphenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136807367
(4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 136907573
4-(3-fluorophenyl)-3-methylazetidin-2-one
CID 114873177
[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid
CID 138684995

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one (CID 137266385) is 4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one is Cc1nsc2c1C(C1CNNC1c1cccc(F)c1)CC(=O)N2.
What is the InChIKey of 4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
The InChIKey is PHELRGQDYHTQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4OS/c1-8-14-11(6-13(22)19-16(14)23-21-8)12-7-18-20-15(12)9-3-2-4-10(17)5-9/h2-5,11-12,15,18,20H,6-7H2,1H3,(H,19,22).
What are the key properties of 4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one has a molecular weight of 332.40 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 137266385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).