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

C17H16FN5OS — CID 166067726

IUPAC(4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1nsc(-n2ncc3c2CCN(C(=O)c2ccc(F)cc2)C3C)n1
InChIInChI=1S/C17H16FN5OS/c1-10-14-9-19-23(17-20-11(2)21-25-17)15(14)7-8-22(10)16(24)12-3-5-13(18)6-4-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyABQFNYVGKINJQI-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.93
Rot. Bonds2

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

(4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 166067726) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID166067726
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC Name(4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1nsc(-n2ncc3c2CCN(C(=O)c2ccc(F)cc2)C3C)n1
InChIInChI=1S/C17H16FN5OS/c1-10-14-9-19-23(17-20-11(2)21-25-17)15(14)7-8-22(10)16(24)12-3-5-13(18)6-4-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyABQFNYVGKINJQI-UHFFFAOYSA-N
XLogP2.93
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
[(8R)-1-(2,6-difluorophenyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
CID 166082261
(4-fluorophenyl)-[8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 166082162
(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(2-sulfanylidenepyrrolidin-1-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 171760110
N-[(8R)-7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]methanesulfonamide
CID 166082409
(4-fluorophenyl)-[8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 174205288
N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-hydroxyacetamide
CID 166082244
2-chloro-N-[7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]acetamide
CID 174200380
N-[(8R)-7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-N-methylcyclopropanecarboxamide
CID 166082127
(3S)-1-[(8R)-7-(4-fluorobenzoyl)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-hydroxypyrrolidin-2-one
CID 166082282
[(8R)-1-(benzhydrylideneamino)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
CID 166082234
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone
CID 86954667

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone (CID 166067726) is (4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone is Cc1nsc(-n2ncc3c2CCN(C(=O)c2ccc(F)cc2)C3C)n1.
What is the InChIKey of (4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is ABQFNYVGKINJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5OS/c1-10-14-9-19-23(17-20-11(2)21-25-17)15(14)7-8-22(10)16(24)12-3-5-13(18)6-4-12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone?
(4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 357.41 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 166067726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).