[5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C22H19FN4O2S — CID 58582442

IUPAC[5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cccc2c(-c3nc(C(=O)N4CC[C@@H](O)C4)c(-c4ccc(F)cc4)s3)[nH]nc12
InChIInChI=1S/C22H19FN4O2S/c1-12-3-2-4-16-17(12)25-26-18(16)21-24-19(22(29)27-10-9-15(28)11-27)20(30-21)13-5-7-14(23)8-6-13/h2-8,15,28H,9-11H2,1H3,(H,25,26)/t15-/m1/s1
InChIKeyVTSYLHJMKPVZPL-OAHLLOKOSA-N
MW422.49 g/mol
LogP4.01
Rot. Bonds3

About [5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 58582442) has the molecular formula C22H19FN4O2S and a molecular weight of 422.49 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID58582442
Molecular FormulaC22H19FN4O2S
Molecular Weight422.49 g/mol
Exact Mass422.12
IUPAC Name[5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cccc2c(-c3nc(C(=O)N4CC[C@@H](O)C4)c(-c4ccc(F)cc4)s3)[nH]nc12
InChIInChI=1S/C22H19FN4O2S/c1-12-3-2-4-16-17(12)25-26-18(16)21-24-19(22(29)27-10-9-15(28)11-27)20(30-21)13-5-7-14(23)8-6-13/h2-8,15,28H,9-11H2,1H3,(H,25,26)/t15-/m1/s1
InChIKeyVTSYLHJMKPVZPL-OAHLLOKOSA-N
XLogP4.01
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 11442222
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]methanone
CID 58582457
(3S)-1-[1-[5-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]ethenyl]pyrrolidin-3-ol
CID 143017690
[2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 22259239
2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole
CID 143017598
2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
CID 22259210
[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 22259204
[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561560
N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpyrrolidin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 23590827
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone
CID 23590755

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 58582442) is [5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is Cc1cccc2c(-c3nc(C(=O)N4CC[C@@H](O)C4)c(-c4ccc(F)cc4)s3)[nH]nc12.
What is the InChIKey of [5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is VTSYLHJMKPVZPL-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19FN4O2S/c1-12-3-2-4-16-17(12)25-26-18(16)21-24-19(22(29)27-10-9-15(28)11-27)20(30-21)13-5-7-14(23)8-6-13/h2-8,15,28H,9-11H2,1H3,(H,25,26)/t15-/m1/s1.
What are the key properties of [5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 422.49 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 58582442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).