(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone

C21H23FN4OS — CID 108810430

IUPAC(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCc2c(cnn2C(C)(C)C)C1
InChIInChI=1S/C21H23FN4OS/c1-13-18(28-19(24-13)14-5-7-16(22)8-6-14)20(27)25-10-9-17-15(12-25)11-23-26(17)21(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyGOELSMPNZWOLOO-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.41
Rot. Bonds2

About (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone

(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone (PubChem CID 108810430) has the molecular formula C21H23FN4OS and a molecular weight of 398.51 g/mol. Its IUPAC name is (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
PubChem CID108810430
Molecular FormulaC21H23FN4OS
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC Name(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCc2c(cnn2C(C)(C)C)C1
InChIInChI=1S/C21H23FN4OS/c1-13-18(28-19(24-13)14-5-7-16(22)8-6-14)20(27)25-10-9-17-15(12-25)11-23-26(17)21(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyGOELSMPNZWOLOO-UHFFFAOYSA-N
XLogP4.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

ethyl 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate
CID 42581499
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(5-methylfuran-2-yl)methanone
CID 108732245
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108755726
[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 108810480
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120658164
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 26721215
(3S)-1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124696319
(3R)-1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124696317
3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 30134172
3-bromo-1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 108732236

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The IUPAC name of (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone (CID 108810430) is (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone is Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCc2c(cnn2C(C)(C)C)C1.
What is the InChIKey of (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The InChIKey is GOELSMPNZWOLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OS/c1-13-18(28-19(24-13)14-5-7-16(22)8-6-14)20(27)25-10-9-17-15(12-25)11-23-26(17)21(2,3)4/h5-8,11H,9-10,12H2,1-4H3.
What are the key properties of (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 108810430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).