4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide

C60H62ClFN16O5S — CID 157416846

IUPAC4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCN(C)c1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)n1.CNCc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C21H23N5O.C20H21N5O3S.C19H18ClFN6O/c1-14-3-4-16(21(27)25-18-5-6-18)8-20(14)17-11-24-26(13-17)19-7-15(9-22-2)10-23-12-19;1-13-3-4-14(20(26)23-16-5-6-16)7-19(13)15-9-22-25(12-15)18-8-17(10-21-11-18)24-29(2,27)28;1-26(2)17-8-22-9-18(25-17)27-10-11(7-23-27)13-5-14(16(21)6-15(13)20)19(28)24-12-3-4-12/h3-4,7-8,10-13,18,22H,5-6,9H2,1-2H3,(H,25,27);3-4,7-12,16,24H,5-6H2,1-2H3,(H,23,26);5-10,12H,3-4H2,1-2H3,(H,24,28)
InChIKeyBOYHZRIFOUDUMB-UHFFFAOYSA-N
MW1173.78 g/mol
LogP8.44
Rot. Bonds17

About 4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide

4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 157416846) has the molecular formula C60H62ClFN16O5S and a molecular weight of 1173.78 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID157416846
Molecular FormulaC60H62ClFN16O5S
Molecular Weight1173.78 g/mol
Exact Mass1172.45
IUPAC Name4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCN(C)c1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)n1.CNCc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C21H23N5O.C20H21N5O3S.C19H18ClFN6O/c1-14-3-4-16(21(27)25-18-5-6-18)8-20(14)17-11-24-26(13-17)19-7-15(9-22-2)10-23-12-19;1-13-3-4-14(20(26)23-16-5-6-16)7-19(13)15-9-22-25(12-15)18-8-17(10-21-11-18)24-29(2,27)28;1-26(2)17-8-22-9-18(25-17)27-10-11(7-23-27)13-5-14(16(21)6-15(13)20)19(28)24-12-3-4-12/h3-4,7-8,10-13,18,22H,5-6,9H2,1-2H3,(H,25,27);3-4,7-12,16,24H,5-6H2,1-2H3,(H,23,26);5-10,12H,3-4H2,1-2H3,(H,24,28)
InChIKeyBOYHZRIFOUDUMB-UHFFFAOYSA-N
XLogP8.44
TPSA253.76 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001173.78
LogP ≤ 58.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide with MolForge

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Related Compounds

4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-5-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 158152081
4-[6-[(E)-but-2-en-2-yl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 159173244
4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 159494840
N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide
CID 161089712
1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 161268703
8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one
CID 157224548
3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 158373213
4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(4-fluoro-2-methylphenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 159479032
4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(2-fluorophenyl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 159509400
4-[6-chloro-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 160009323
4-[6-chloro-8-(3-hydroxypropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[8-(3-hydroxypropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 160520960
4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide;4-chloro-N-cyclopropyl-3-(1-pyridin-3-ylpyrazol-4-yl)benzamide;N-cyclopropyl-3-[1-[5-[(2-fluoroacetyl)amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(propanoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide
CID 160940678

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide (CID 157416846) is 4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide is CN(C)c1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)n1.CNCc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NS(C)(=O)=O)c2)c1.
What is the InChIKey of 4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is BOYHZRIFOUDUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.C20H21N5O3S.C19H18ClFN6O/c1-14-3-4-16(21(27)25-18-5-6-18)8-20(14)17-11-24-26(13-17)19-7-15(9-22-2)10-23-12-19;1-13-3-4-14(20(26)23-16-5-6-16)7-19(13)15-9-22-25(12-15)18-8-17(10-21-11-18)24-29(2,27)28;1-26(2)17-8-22-9-18(25-17)27-10-11(7-23-27)13-5-14(16(21)6-15(13)20)19(28)24-12-3-4-12/h3-4,7-8,10-13,18,22H,5-6,9H2,1-2H3,(H,25,27);3-4,7-12,16,24H,5-6H2,1-2H3,(H,23,26);5-10,12H,3-4H2,1-2H3,(H,24,28).
What are the key properties of 4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide?
4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 1173.78 g/mol, XLogP of 8.44, 17 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-5-[1-[6-(dimethylamino)pyrazin-2-yl]pyrazol-4-yl]-2-fluorobenzamide;N-cyclopropyl-3-[1-[5-(methanesulfonamido)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylaminomethyl)-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 157416846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).