potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate

C42H44ClF2KN12OS2 — CID 159717497

IUPACpotassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].F[C@H]1CCCN(c2ccc(-c3nc4nc(-n5ccnc5)ccc4s3)cn2)C1.F[C@H]1CCCN(c2ccc(-c3nc4nc(Cl)ccc4s3)cn2)C1.[K+].c1c[nH]cn1
InChIInChI=1S/C19H17FN6S.C16H14ClFN4S.C4H9O.C3H4N2.K/c20-14-2-1-8-25(11-14)16-5-3-13(10-22-16)19-24-18-15(27-19)4-6-17(23-18)26-9-7-21-12-26;17-13-5-4-12-15(20-13)21-16(23-12)10-3-6-14(19-8-10)22-7-1-2-11(18)9-22;1-4(2,3)5;1-2-5-3-4-1;/h3-7,9-10,12,14H,1-2,8,11H2;3-6,8,11H,1-2,7,9H2;1-3H3;1-3H,(H,4,5);/q;;-1;;+1/t14-;11-;;;/m00.../s1
InChIKeyMZPPVOIYHCJUGU-ZDJATETLSA-N
MW909.58 g/mol
LogP5.78
Rot. Bonds5

About potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate

potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate (PubChem CID 159717497) has the molecular formula C42H44ClF2KN12OS2 and a molecular weight of 909.58 g/mol. Its IUPAC name is potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate.

Molecular Properties

Compound Namepotassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate
PubChem CID159717497
Molecular FormulaC42H44ClF2KN12OS2
Molecular Weight909.58 g/mol
Exact Mass908.25
IUPAC Namepotassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].F[C@H]1CCCN(c2ccc(-c3nc4nc(-n5ccnc5)ccc4s3)cn2)C1.F[C@H]1CCCN(c2ccc(-c3nc4nc(Cl)ccc4s3)cn2)C1.[K+].c1c[nH]cn1
InChIInChI=1S/C19H17FN6S.C16H14ClFN4S.C4H9O.C3H4N2.K/c20-14-2-1-8-25(11-14)16-5-3-13(10-22-16)19-24-18-15(27-19)4-6-17(23-18)26-9-7-21-12-26;17-13-5-4-12-15(20-13)21-16(23-12)10-3-6-14(19-8-10)22-7-1-2-11(18)9-22;1-4(2,3)5;1-2-5-3-4-1;/h3-7,9-10,12,14H,1-2,8,11H2;3-6,8,11H,1-2,7,9H2;1-3H3;1-3H,(H,4,5);/q;;-1;;+1/t14-;11-;;;/m00.../s1
InChIKeyMZPPVOIYHCJUGU-ZDJATETLSA-N
XLogP5.78
TPSA153.38 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500909.58
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate with MolForge

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Related Compounds

3-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloropyridine;5-methyl-1,3-thiazol-2-amine;3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 158877494
5-(5-chlorothiophen-2-yl)-2-[2-[2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethylamino]ethyl]-N,N-dimethylimidazole-1-sulfonamide;2-[2-[2-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;methane
CID 160235499
2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 160739449

Frequently Asked Questions

What is the IUPAC name of potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate?
The IUPAC name of potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate (CID 159717497) is potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate.
What is the SMILES notation for potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate?
The canonical SMILES for potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate is CC(C)(C)[O-].F[C@H]1CCCN(c2ccc(-c3nc4nc(-n5ccnc5)ccc4s3)cn2)C1.F[C@H]1CCCN(c2ccc(-c3nc4nc(Cl)ccc4s3)cn2)C1.[K+].c1c[nH]cn1.
What is the InChIKey of potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate?
The InChIKey is MZPPVOIYHCJUGU-ZDJATETLSA-N. The full InChI is InChI=1S/C19H17FN6S.C16H14ClFN4S.C4H9O.C3H4N2.K/c20-14-2-1-8-25(11-14)16-5-3-13(10-22-16)19-24-18-15(27-19)4-6-17(23-18)26-9-7-21-12-26;17-13-5-4-12-15(20-13)21-16(23-12)10-3-6-14(19-8-10)22-7-1-2-11(18)9-22;1-4(2,3)5;1-2-5-3-4-1;/h3-7,9-10,12,14H,1-2,8,11H2;3-6,8,11H,1-2,7,9H2;1-3H3;1-3H,(H,4,5);/q;;-1;;+1/t14-;11-;;;/m00.../s1.
What are the key properties of potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate?
potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate has a molecular weight of 909.58 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate is sourced from PubChem (CID 159717497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).