1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide

C20H24F2N4O3S — CID 55601975

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H24F2N4O3S/c1-25-18-4-2-3-17(15(18)12-23-25)24-20(27)13-7-9-26(10-8-13)30(28,29)19-11-14(21)5-6-16(19)22/h5-6,11-13,17H,2-4,7-10H2,1H3,(H,24,27)
InChIKeyWMPFYCIXVZRILY-UHFFFAOYSA-N
MW438.50 g/mol
LogP2.29
Rot. Bonds4

About 1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide (PubChem CID 55601975) has the molecular formula C20H24F2N4O3S and a molecular weight of 438.50 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide
PubChem CID55601975
Molecular FormulaC20H24F2N4O3S
Molecular Weight438.50 g/mol
Exact Mass438.15
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H24F2N4O3S/c1-25-18-4-2-3-17(15(18)12-23-25)24-20(27)13-7-9-26(10-8-13)30(28,29)19-11-14(21)5-6-16(19)22/h5-6,11-13,17H,2-4,7-10H2,1H3,(H,24,27)
InChIKeyWMPFYCIXVZRILY-UHFFFAOYSA-N
XLogP2.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide
CID 55601923
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661
1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide
CID 55601726
1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110225755
1-(2,5-difluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119454029
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 46424971
1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide
CID 47998684
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983146
5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 43063208
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55635619
3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51089109

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide (CID 55601975) is 1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide is Cn1ncc2c1CCCC2NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide?
The InChIKey is WMPFYCIXVZRILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O3S/c1-25-18-4-2-3-17(15(18)12-23-25)24-20(27)13-7-9-26(10-8-13)30(28,29)19-11-14(21)5-6-16(19)22/h5-6,11-13,17H,2-4,7-10H2,1H3,(H,24,27).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide?
1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide has a molecular weight of 438.50 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55601975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).