2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide

C70H72Cl3F5N14O9S3 — CID 91189033

IUPAC2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1F.Cc1ccc(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cccnc3)CC2)c(Cl)c1.Cc1ccc(F)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1Cl
InChIInChI=1S/C24H24ClFN4O3S.2C23H24ClF2N5O3S/c1-17-6-7-19(20(25)14-17)23(31)29-16-24(22-21(26)5-3-11-28-22)8-12-30(13-9-24)34(32,33)18-4-2-10-27-15-18;1-15-10-18(24)17(11-20(15)26)22(32)28-14-23(21-19(25)4-3-7-27-21)5-8-31(9-6-23)35(33,34)16-12-29-30(2)13-16;1-15-5-6-17(25)19(20(15)24)22(32)28-14-23(21-18(26)4-3-9-27-21)7-10-31(11-8-23)35(33,34)16-12-29-30(2)13-16/h2-7,10-11,14-15H,8-9,12-13,16H2,1H3,(H,29,31);3-4,7,10-13H,5-6,8-9,14H2,1-2H3,(H,28,32);3-6,9,12-13H,7-8,10-11,14H2,1-2H3,(H,28,32)
InChIKeyBPBPIVXCZANIEC-UHFFFAOYSA-N
MW1550.98 g/mol
LogP10.15
Rot. Bonds18

About 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide

2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide (PubChem CID 91189033) has the molecular formula C70H72Cl3F5N14O9S3 and a molecular weight of 1550.98 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
PubChem CID91189033
Molecular FormulaC70H72Cl3F5N14O9S3
Molecular Weight1550.98 g/mol
Exact Mass1548.38
IUPAC Name2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1F.Cc1ccc(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cccnc3)CC2)c(Cl)c1.Cc1ccc(F)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1Cl
InChIInChI=1S/C24H24ClFN4O3S.2C23H24ClF2N5O3S/c1-17-6-7-19(20(25)14-17)23(31)29-16-24(22-21(26)5-3-11-28-22)8-12-30(13-9-24)34(32,33)18-4-2-10-27-15-18;1-15-10-18(24)17(11-20(15)26)22(32)28-14-23(21-19(25)4-3-7-27-21)5-8-31(9-6-23)35(33,34)16-12-29-30(2)13-16;1-15-5-6-17(25)19(20(15)24)22(32)28-14-23(21-18(26)4-3-9-27-21)7-10-31(11-8-23)35(33,34)16-12-29-30(2)13-16/h2-7,10-11,14-15H,8-9,12-13,16H2,1H3,(H,29,31);3-4,7,10-13H,5-6,8-9,14H2,1-2H3,(H,28,32);3-6,9,12-13H,7-8,10-11,14H2,1-2H3,(H,28,32)
InChIKeyBPBPIVXCZANIEC-UHFFFAOYSA-N
XLogP10.15
TPSA286.64 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001550.98
LogP ≤ 510.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide with MolForge

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Related Compounds

2,4-dichloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide
CID 59164256
2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
CID 59164259
2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide
CID 59164286
2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
CID 59164290
2-chloro-3,6-difluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide
CID 59164301
2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
CID 90762826
2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide
CID 91223876
2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide
CID 157201340
2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-[(1-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-4-yl]methyl]-4-methylbenzamide
CID 161867126

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide (CID 91189033) is 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide is Cc1cc(Cl)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1F.Cc1ccc(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cccnc3)CC2)c(Cl)c1.Cc1ccc(F)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide?
The InChIKey is BPBPIVXCZANIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3S.2C23H24ClF2N5O3S/c1-17-6-7-19(20(25)14-17)23(31)29-16-24(22-21(26)5-3-11-28-22)8-12-30(13-9-24)34(32,33)18-4-2-10-27-15-18;1-15-10-18(24)17(11-20(15)26)22(32)28-14-23(21-19(25)4-3-7-27-21)5-8-31(9-6-23)35(33,34)16-12-29-30(2)13-16;1-15-5-6-17(25)19(20(15)24)22(32)28-14-23(21-18(26)4-3-9-27-21)7-10-31(11-8-23)35(33,34)16-12-29-30(2)13-16/h2-7,10-11,14-15H,8-9,12-13,16H2,1H3,(H,29,31);3-4,7,10-13H,5-6,8-9,14H2,1-2H3,(H,28,32);3-6,9,12-13H,7-8,10-11,14H2,1-2H3,(H,28,32).
What are the key properties of 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide?
2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide has a molecular weight of 1550.98 g/mol, XLogP of 10.15, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 91189033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).