(4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C12H10ClN5OS — CID 136887288

IUPAC(4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2c1NC(=O)C[C@@H]2c1c(Cl)nc2sccn12
InChIInChI=1S/C12H10ClN5OS/c1-17-11-7(5-14-17)6(4-8(19)15-11)9-10(13)16-12-18(9)2-3-20-12/h2-3,5-6H,4H2,1H3,(H,15,19)/t6-/m0/s1
InChIKeyYUSKPYRPXJIZLW-LURJTMIESA-N
MW307.77 g/mol
LogP2.26
Rot. Bonds1

About (4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136887288) has the molecular formula C12H10ClN5OS and a molecular weight of 307.77 g/mol. Its IUPAC name is (4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136887288
Molecular FormulaC12H10ClN5OS
Molecular Weight307.77 g/mol
Exact Mass307.03
IUPAC Name(4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2c1NC(=O)C[C@@H]2c1c(Cl)nc2sccn12
InChIInChI=1S/C12H10ClN5OS/c1-17-11-7(5-14-17)6(4-8(19)15-11)9-10(13)16-12-18(9)2-3-20-12/h2-3,5-6H,4H2,1H3,(H,15,19)/t6-/m0/s1
InChIKeyYUSKPYRPXJIZLW-LURJTMIESA-N
XLogP2.26
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

(14R)-14-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
CID 95132771
4-(3-chloro-4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632846
1-methyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632523
(4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737756
(10R)-10-(4-methylsulfanylphenyl)-5-thia-2,7,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,6-triene-8,12-dione
CID 7332802
4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71704615
1-methyl-4-(2-phenyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169412587
1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632453
4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632655
4-(3-hydroxy-4-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632417
(13S)-13-(2-methyl-4-pyrazol-1-ylphenyl)-5-thia-2,7,10-triazatricyclo[6.5.0.02,6]trideca-1(8),3,6-trien-11-one
CID 95149219
6-chloro-5-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]imidazo[2,1-b][1,3]thiazole
CID 95126412

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136887288) is (4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1ncc2c1NC(=O)C[C@@H]2c1c(Cl)nc2sccn12.
What is the InChIKey of (4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is YUSKPYRPXJIZLW-LURJTMIESA-N. The full InChI is InChI=1S/C12H10ClN5OS/c1-17-11-7(5-14-17)6(4-8(19)15-11)9-10(13)16-12-18(9)2-3-20-12/h2-3,5-6H,4H2,1H3,(H,15,19)/t6-/m0/s1.
What are the key properties of (4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 307.77 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136887288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).