5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide

C98H78F12N20O6 — CID 159204404

IUPAC5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3c2)c1.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C26H17F3N4O2.C25H22F3N5O.C24H20F3N5O.C23H19F3N6O2/c27-26(28,29)18-7-9-19(10-8-18)31-25(34)24-22-13-16(6-11-23(22)32-33-24)17-12-21(15-30-14-17)35-20-4-2-1-3-5-20;26-25(27,28)19-4-6-20(7-5-19)30-24(34)23-21-12-17(3-8-22(21)31-32-23)18-11-16(13-29-14-18)15-33-9-1-2-10-33;25-24(26,27)18-3-5-19(6-4-18)29-23(33)22-20-11-16(2-7-21(20)30-31-22)17-10-15(12-28-13-17)14-32-8-1-9-32;1-32(2)22(34)29-17-9-14(11-27-12-17)13-3-8-19-18(10-13)20(31-30-19)21(33)28-16-6-4-15(5-7-16)23(24,25)26/h1-15H,(H,31,34)(H,32,33);3-8,11-14H,1-2,9-10,15H2,(H,30,34)(H,31,32);2-7,10-13H,1,8-9,14H2,(H,29,33)(H,30,31);3-12H,1-2H3,(H,28,33)(H,29,34)(H,30,31)
InChIKeyKPRPSVKPBDTJSX-UHFFFAOYSA-N
MW1859.81 g/mol
LogP22.27
Rot. Bonds19

About 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 159204404) has the molecular formula C98H78F12N20O6 and a molecular weight of 1859.81 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID159204404
Molecular FormulaC98H78F12N20O6
Molecular Weight1859.81 g/mol
Exact Mass1858.62
IUPAC Name5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3c2)c1.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C26H17F3N4O2.C25H22F3N5O.C24H20F3N5O.C23H19F3N6O2/c27-26(28,29)18-7-9-19(10-8-18)31-25(34)24-22-13-16(6-11-23(22)32-33-24)17-12-21(15-30-14-17)35-20-4-2-1-3-5-20;26-25(27,28)19-4-6-20(7-5-19)30-24(34)23-21-12-17(3-8-22(21)31-32-23)18-11-16(13-29-14-18)15-33-9-1-2-10-33;25-24(26,27)18-3-5-19(6-4-18)29-23(33)22-20-11-16(2-7-21(20)30-31-22)17-10-15(12-28-13-17)14-32-8-1-9-32;1-32(2)22(34)29-17-9-14(11-27-12-17)13-3-8-19-18(10-13)20(31-30-19)21(33)28-16-6-4-15(5-7-16)23(24,25)26/h1-15H,(H,31,34)(H,32,33);3-8,11-14H,1-2,9-10,15H2,(H,30,34)(H,31,32);2-7,10-13H,1,8-9,14H2,(H,29,33)(H,30,31);3-12H,1-2H3,(H,28,33)(H,29,34)(H,30,31)
InChIKeyKPRPSVKPBDTJSX-UHFFFAOYSA-N
XLogP22.27
TPSA330.73 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001859.81
LogP ≤ 522.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Analyze 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 158088813
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(4-cyanophenyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 162171218
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 159944208
5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381665
N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(3-benzylphenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(3-benzylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 159535559
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451293
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89451203
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 159293584
N-(5-benzyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444849
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 158393432
5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 118381881
ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555502

Frequently Asked Questions

What is the IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide (CID 159204404) is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide is CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3c2)c1.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.
What is the InChIKey of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is KPRPSVKPBDTJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4O2.C25H22F3N5O.C24H20F3N5O.C23H19F3N6O2/c27-26(28,29)18-7-9-19(10-8-18)31-25(34)24-22-13-16(6-11-23(22)32-33-24)17-12-21(15-30-14-17)35-20-4-2-1-3-5-20;26-25(27,28)19-4-6-20(7-5-19)30-24(34)23-21-12-17(3-8-22(21)31-32-23)18-11-16(13-29-14-18)15-33-9-1-2-10-33;25-24(26,27)18-3-5-19(6-4-18)29-23(33)22-20-11-16(2-7-21(20)30-31-22)17-10-15(12-28-13-17)14-32-8-1-9-32;1-32(2)22(34)29-17-9-14(11-27-12-17)13-3-8-19-18(10-13)20(31-30-19)21(33)28-16-6-4-15(5-7-16)23(24,25)26/h1-15H,(H,31,34)(H,32,33);3-8,11-14H,1-2,9-10,15H2,(H,30,34)(H,31,32);2-7,10-13H,1,8-9,14H2,(H,29,33)(H,30,31);3-12H,1-2H3,(H,28,33)(H,29,34)(H,30,31).
What are the key properties of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide?
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 1859.81 g/mol, XLogP of 22.27, 19 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 159204404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).