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

C24H27F2N7O2S — CID 143531783

IUPACN-[5-[(3,4-difluorophenyl)sulfonimidoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILES[H]N=S(=O)(c1ccc(F)c(F)c1)N1CCc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
InChIInChI=1S/C24H27F2N7O2S/c1-31-10-12-32(13-11-31)17-4-2-16(3-5-17)24(34)28-23-19-15-33(9-8-22(19)29-30-23)36(27,35)18-6-7-20(25)21(26)14-18/h2-7,14,27H,8-13,15H2,1H3,(H2,28,29,30,34)
InChIKeyBOIMEYGBRZZFAQ-UHFFFAOYSA-N
MW515.59 g/mol
LogP3.07
Rot. Bonds5

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

N-[5-[(3,4-difluorophenyl)sulfonimidoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 143531783) has the molecular formula C24H27F2N7O2S and a molecular weight of 515.59 g/mol. Its IUPAC name is N-[5-[(3,4-difluorophenyl)sulfonimidoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(3,4-difluorophenyl)sulfonimidoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID143531783
Molecular FormulaC24H27F2N7O2S
Molecular Weight515.59 g/mol
Exact Mass515.19
IUPAC NameN-[5-[(3,4-difluorophenyl)sulfonimidoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILES[H]N=S(=O)(c1ccc(F)c(F)c1)N1CCc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
InChIInChI=1S/C24H27F2N7O2S/c1-31-10-12-32(13-11-31)17-4-2-16(3-5-17)24(34)28-23-19-15-33(9-8-22(19)29-30-23)36(27,35)18-6-7-20(25)21(26)14-18/h2-7,14,27H,8-13,15H2,1H3,(H2,28,29,30,34)
InChIKeyBOIMEYGBRZZFAQ-UHFFFAOYSA-N
XLogP3.07
TPSA108.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.59
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24748071
N-[5-(2-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24752029
4-(4-methylpiperazin-1-yl)-N-(5-quinolin-8-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzamide
CID 24748175
2-(cyclopropanecarbonylamino)-N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 67203428
N-[5-(3-chlorothiophen-2-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24751470
4-(4-methylpiperazin-1-yl)-N-[5-[2-(2,3,5-trifluorophenyl)acetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 71654881
N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-[[3-(4-methylpiperazin-1-yl)-2-oxopropyl]amino]benzamide
CID 67201605
N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 67201685
2-amino-N-[5-(3-fluoro-5-methoxyphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 67494269
4-(4-tert-butylpiperazin-1-yl)-N-[5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 68989242
N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-[[(2R)-1-methoxypropan-2-yl]amino]-4-(4-methylpiperazin-1-yl)benzamide
CID 16665788
N-[5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]benzamide
CID 68984986

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-difluorophenyl)sulfonimidoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-[(3,4-difluorophenyl)sulfonimidoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 143531783) is N-[5-[(3,4-difluorophenyl)sulfonimidoyl]-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-[(3,4-difluorophenyl)sulfonimidoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-[(3,4-difluorophenyl)sulfonimidoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is [H]N=S(=O)(c1ccc(F)c(F)c1)N1CCc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1.
What is the InChIKey of N-[5-[(3,4-difluorophenyl)sulfonimidoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is BOIMEYGBRZZFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N7O2S/c1-31-10-12-32(13-11-31)17-4-2-16(3-5-17)24(34)28-23-19-15-33(9-8-22(19)29-30-23)36(27,35)18-6-7-20(25)21(26)14-18/h2-7,14,27H,8-13,15H2,1H3,(H2,28,29,30,34).
What are the key properties of N-[5-[(3,4-difluorophenyl)sulfonimidoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[5-[(3,4-difluorophenyl)sulfonimidoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 515.59 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-difluorophenyl)sulfonimidoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 143531783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).