2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide

C21H17FN4OS — CID 75397989

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide
SMILESCc1[nH]nc2cc(NC(=O)c3cccnc3SCc3ccc(F)cc3)ccc12
InChIInChI=1S/C21H17FN4OS/c1-13-17-9-8-16(11-19(17)26-25-13)24-20(27)18-3-2-10-23-21(18)28-12-14-4-6-15(22)7-5-14/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyNYCBJHHWCXUPCN-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.95
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide

2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide (PubChem CID 75397989) has the molecular formula C21H17FN4OS and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide
PubChem CID75397989
Molecular FormulaC21H17FN4OS
Molecular Weight392.46 g/mol
Exact Mass392.11
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide
SMILESCc1[nH]nc2cc(NC(=O)c3cccnc3SCc3ccc(F)cc3)ccc12
InChIInChI=1S/C21H17FN4OS/c1-13-17-9-8-16(11-19(17)26-25-13)24-20(27)18-3-2-10-23-21(18)28-12-14-4-6-15(22)7-5-14/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyNYCBJHHWCXUPCN-UHFFFAOYSA-N
XLogP4.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 55760593
N-(5-acetamido-2-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55917121
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 55760209
2-[(4-fluorophenyl)methylsulfanyl]-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 60543467
2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 55990597
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 75468300
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 55756487
N-(3-propan-2-yloxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093989
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55757903
N-[3-(4-bromoanilino)-3-oxopropyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55979342
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093756
N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide
CID 11847040

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide (CID 75397989) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide is Cc1[nH]nc2cc(NC(=O)c3cccnc3SCc3ccc(F)cc3)ccc12.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide?
The InChIKey is NYCBJHHWCXUPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4OS/c1-13-17-9-8-16(11-19(17)26-25-13)24-20(27)18-3-2-10-23-21(18)28-12-14-4-6-15(22)7-5-14/h2-11H,12H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 75397989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).