N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

C24H26F2N6O3S — CID 16730088

IUPACN-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(S(=O)(=O)c3cc(F)cc(F)c3)CC4)cc2)CC1
InChIInChI=1S/C24H26F2N6O3S/c1-30-8-10-31(11-9-30)19-4-2-16(3-5-19)24(33)27-23-21-15-32(7-6-22(21)28-29-23)36(34,35)20-13-17(25)12-18(26)14-20/h2-5,12-14H,6-11,15H2,1H3,(H2,27,28,29,33)
InChIKeyFYWUYAPXFLZJIW-UHFFFAOYSA-N
MW516.57 g/mol
LogP2.44
Rot. Bonds5

About N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 16730088) has the molecular formula C24H26F2N6O3S and a molecular weight of 516.57 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID16730088
Molecular FormulaC24H26F2N6O3S
Molecular Weight516.57 g/mol
Exact Mass516.18
IUPAC NameN-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(S(=O)(=O)c3cc(F)cc(F)c3)CC4)cc2)CC1
InChIInChI=1S/C24H26F2N6O3S/c1-30-8-10-31(11-9-30)19-4-2-16(3-5-19)24(33)27-23-21-15-32(7-6-22(21)28-29-23)36(34,35)20-13-17(25)12-18(26)14-20/h2-5,12-14H,6-11,15H2,1H3,(H2,27,28,29,33)
InChIKeyFYWUYAPXFLZJIW-UHFFFAOYSA-N
XLogP2.44
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.57
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{5-[(2R)-2-fluoro-2-phenylacetyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide
CID 11994444
N-[5-(4-methylphenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24752167
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175712
4-(4-methylpiperazin-1-yl)-N-[5-[3-(propan-2-ylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide
CID 56659823
N-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56663280
N-[5-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56663288
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
CID 56663289
N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56666718
4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide
CID 56670140
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56673651
N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56673654
N-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56676973

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 16730088) is N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(S(=O)(=O)c3cc(F)cc(F)c3)CC4)cc2)CC1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is FYWUYAPXFLZJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O3S/c1-30-8-10-31(11-9-30)19-4-2-16(3-5-19)24(33)27-23-21-15-32(7-6-22(21)28-29-23)36(34,35)20-13-17(25)12-18(26)14-20/h2-5,12-14H,6-11,15H2,1H3,(H2,27,28,29,33).
What are the key properties of N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 516.57 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 16730088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).