6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol

C30H27Cl2FN8O2S2 — CID 159798365

IUPAC6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol
SMILESFc1ccc(-c2nc3cnc(Cl)cc3s2)cn1.O[C@@H]1CCN(c2ccc(-c3nc4cnc(Cl)cc4s3)cn2)C1.O[C@@H]1CCNC1
InChIInChI=1S/C15H13ClN4OS.C11H5ClFN3S.C4H9NO/c16-13-5-12-11(7-17-13)19-15(22-12)9-1-2-14(18-6-9)20-4-3-10(21)8-20;12-9-3-8-7(5-14-9)16-11(17-8)6-1-2-10(13)15-4-6;6-4-1-2-5-3-4/h1-2,5-7,10,21H,3-4,8H2;1-5H;4-6H,1-3H2/t10-;;4-/m1.1/s1
InChIKeyNJLQHYLCMCTILH-COCFJCCCSA-N
MW685.64 g/mol
LogP5.86
Rot. Bonds3

About 6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol

6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol (PubChem CID 159798365) has the molecular formula C30H27Cl2FN8O2S2 and a molecular weight of 685.64 g/mol. Its IUPAC name is 6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol.

Molecular Properties

Compound Name6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol
PubChem CID159798365
Molecular FormulaC30H27Cl2FN8O2S2
Molecular Weight685.64 g/mol
Exact Mass684.11
IUPAC Name6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol
SMILESFc1ccc(-c2nc3cnc(Cl)cc3s2)cn1.O[C@@H]1CCN(c2ccc(-c3nc4cnc(Cl)cc4s3)cn2)C1.O[C@@H]1CCNC1
InChIInChI=1S/C15H13ClN4OS.C11H5ClFN3S.C4H9NO/c16-13-5-12-11(7-17-13)19-15(22-12)9-1-2-14(18-6-9)20-4-3-10(21)8-20;12-9-3-8-7(5-14-9)16-11(17-8)6-1-2-10(13)15-4-6;6-4-1-2-5-3-4/h1-2,5-7,10,21H,3-4,8H2;1-5H;4-6H,1-3H2/t10-;;4-/m1.1/s1
InChIKeyNJLQHYLCMCTILH-COCFJCCCSA-N
XLogP5.86
TPSA133.07 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500685.64
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol with MolForge

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Related Compounds

1-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
CID 172595362
1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
CID 146272225
(3R)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416138
(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416146
2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole
CID 146420544
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
CID 172595458
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
(3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol
CID 172626752
1-[5-(1,3-benzothiazol-2-yl)pyrimidin-2-yl]piperidin-4-ol
CID 167985106
1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-ol
CID 71078479
1-[2-[6-(4-ethylpiperidin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]prop-2-en-1-one
CID 143516856

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol?
The IUPAC name of 6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol (CID 159798365) is 6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol.
What is the SMILES notation for 6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol?
The canonical SMILES for 6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol is Fc1ccc(-c2nc3cnc(Cl)cc3s2)cn1.O[C@@H]1CCN(c2ccc(-c3nc4cnc(Cl)cc4s3)cn2)C1.O[C@@H]1CCNC1.
What is the InChIKey of 6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol?
The InChIKey is NJLQHYLCMCTILH-COCFJCCCSA-N. The full InChI is InChI=1S/C15H13ClN4OS.C11H5ClFN3S.C4H9NO/c16-13-5-12-11(7-17-13)19-15(22-12)9-1-2-14(18-6-9)20-4-3-10(21)8-20;12-9-3-8-7(5-14-9)16-11(17-8)6-1-2-10(13)15-4-6;6-4-1-2-5-3-4/h1-2,5-7,10,21H,3-4,8H2;1-5H;4-6H,1-3H2/t10-;;4-/m1.1/s1.
What are the key properties of 6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol?
6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol has a molecular weight of 685.64 g/mol, XLogP of 5.86, 3 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol is sourced from PubChem (CID 159798365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).