1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide

C21H23FN4O2S — CID 90614408

IUPAC1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCCn1nc(-c2ccncc2)c2c1CCCC2
InChIInChI=1S/C21H23FN4O2S/c22-19-7-3-1-5-17(19)15-29(27,28)24-13-14-26-20-8-4-2-6-18(20)21(25-26)16-9-11-23-12-10-16/h1,3,5,7,9-12,24H,2,4,6,8,13-15H2
InChIKeyXQNLSKIKCSUDCE-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.08
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide

1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide (PubChem CID 90614408) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
PubChem CID90614408
Molecular FormulaC21H23FN4O2S
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC Name1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCCn1nc(-c2ccncc2)c2c1CCCC2
InChIInChI=1S/C21H23FN4O2S/c22-19-7-3-1-5-17(19)15-29(27,28)24-13-14-26-20-8-4-2-6-18(20)21(25-26)16-9-11-23-12-10-16/h1,3,5,7,9-12,24H,2,4,6,8,13-15H2
InChIKeyXQNLSKIKCSUDCE-UHFFFAOYSA-N
XLogP3.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614316
4-nitro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90614309
3-methoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90614282
N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 90614186
1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614605
2-methyl-5-nitro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90614333
3-phenylsulfanyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 72718483
2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614191
1-[(2-fluorophenyl)methyl]-3-pyrimidin-5-yl-4,5,6,7-tetrahydroindazole
CID 53391158
2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614149
N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614593
N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide
CID 90614165

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide (CID 90614408) is 1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1ccccc1F)NCCn1nc(-c2ccncc2)c2c1CCCC2.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is XQNLSKIKCSUDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c22-19-7-3-1-5-17(19)15-29(27,28)24-13-14-26-20-8-4-2-6-18(20)21(25-26)16-9-11-23-12-10-16/h1,3,5,7,9-12,24H,2,4,6,8,13-15H2.
What are the key properties of 1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide?
1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 414.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 90614408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).