5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide

C26H23ClF3N5O3S — CID 126617134

IUPAC5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C(c2ccc(Cl)cc2)c2ccc3n[nH]c(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)cn1
InChIInChI=1S/C26H23ClF3N5O3S/c27-19-5-1-15(2-6-19)23(18-4-8-22(25(31)36)32-14-18)17-3-7-21-20(13-17)24(34-33-21)16-9-11-35(12-10-16)39(37,38)26(28,29)30/h1-8,13-14,16,23H,9-12H2,(H2,31,36)(H,33,34)
InChIKeyRSNGQPGDDAFSMT-UHFFFAOYSA-N
MW578.02 g/mol
LogP4.92
Rot. Bonds6

About 5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide

5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide (PubChem CID 126617134) has the molecular formula C26H23ClF3N5O3S and a molecular weight of 578.02 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide
PubChem CID126617134
Molecular FormulaC26H23ClF3N5O3S
Molecular Weight578.02 g/mol
Exact Mass577.12
IUPAC Name5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C(c2ccc(Cl)cc2)c2ccc3n[nH]c(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)cn1
InChIInChI=1S/C26H23ClF3N5O3S/c27-19-5-1-15(2-6-19)23(18-4-8-22(25(31)36)32-14-18)17-3-7-21-20(13-17)24(34-33-21)16-9-11-35(12-10-16)39(37,38)26(28,29)30/h1-8,13-14,16,23H,9-12H2,(H2,31,36)(H,33,34)
InChIKeyRSNGQPGDDAFSMT-UHFFFAOYSA-N
XLogP4.92
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.02
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide
CID 22978184
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 127037289
5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127037293
N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047161
N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047590
6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 162672615
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 164615128
N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 164624822
4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide
CID 22978183
5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118381076
5-[5-(difluoromethyl)pyridin-3-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381122
N-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)pyridin-3-yl]-1H-indazole-3-carboxamide
CID 118381170

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide (CID 126617134) is 5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide is NC(=O)c1ccc(C(c2ccc(Cl)cc2)c2ccc3n[nH]c(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)cn1.
What is the InChIKey of 5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide?
The InChIKey is RSNGQPGDDAFSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF3N5O3S/c27-19-5-1-15(2-6-19)23(18-4-8-22(25(31)36)32-14-18)17-3-7-21-20(13-17)24(34-33-21)16-9-11-35(12-10-16)39(37,38)26(28,29)30/h1-8,13-14,16,23H,9-12H2,(H2,31,36)(H,33,34).
What are the key properties of 5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide?
5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide has a molecular weight of 578.02 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 126617134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).