3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide

C20H15FN4OS — CID 54596195

IUPAC3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide
SMILESCc1cc2[nH]ncc2cc1Sc1cccc(NC(=O)c2ccncc2F)c1
InChIInChI=1S/C20H15FN4OS/c1-12-7-18-13(10-23-25-18)8-19(12)27-15-4-2-3-14(9-15)24-20(26)16-5-6-22-11-17(16)21/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyBAGNNPDYUUHJGJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.81
Rot. Bonds4

About 3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide

3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide (PubChem CID 54596195) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide
PubChem CID54596195
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide
SMILESCc1cc2[nH]ncc2cc1Sc1cccc(NC(=O)c2ccncc2F)c1
InChIInChI=1S/C20H15FN4OS/c1-12-7-18-13(10-23-25-18)8-19(12)27-15-4-2-3-14(9-15)24-20(26)16-5-6-22-11-17(16)21/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyBAGNNPDYUUHJGJ-UHFFFAOYSA-N
XLogP4.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide
CID 79771081
2-fluoro-N-(1H-indazol-5-yl)benzamide
CID 5078247
2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide
CID 158874074
3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054769
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947
N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide
CID 64955247
2-fluoro-N-(1H-indazol-6-yl)-5-methylbenzamide
CID 62512997
4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336
3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 115646253
3-fluoro-N-(6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 115645542
N-(3-fluoro-4-methylphenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105071773

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide (CID 54596195) is 3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide is Cc1cc2[nH]ncc2cc1Sc1cccc(NC(=O)c2ccncc2F)c1.
What is the InChIKey of 3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide?
The InChIKey is BAGNNPDYUUHJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c1-12-7-18-13(10-23-25-18)8-19(12)27-15-4-2-3-14(9-15)24-20(26)16-5-6-22-11-17(16)21/h2-11H,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide?
3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 54596195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).