5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C25H23F3N6O — CID 89450444

IUPAC5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnccc1C(F)(F)F)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C25H23F3N6O/c26-25(27,28)20-6-7-29-14-22(20)31-24(35)23-19-11-17(4-5-21(19)32-33-23)18-10-16(12-30-13-18)15-34-8-2-1-3-9-34/h4-7,10-14H,1-3,8-9,15H2,(H,31,35)(H,32,33)
InChIKeyNQOVTAOXVMUZGC-UHFFFAOYSA-N
MW480.49 g/mol
LogP5.28
Rot. Bonds5

About 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450444) has the molecular formula C25H23F3N6O and a molecular weight of 480.49 g/mol. Its IUPAC name is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450444
Molecular FormulaC25H23F3N6O
Molecular Weight480.49 g/mol
Exact Mass480.19
IUPAC Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnccc1C(F)(F)F)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C25H23F3N6O/c26-25(27,28)20-6-7-29-14-22(20)31-24(35)23-19-11-17(4-5-21(19)32-33-23)18-10-16(12-30-13-18)15-34-8-2-1-3-9-34/h4-7,10-14H,1-3,8-9,15H2,(H,31,35)(H,32,33)
InChIKeyNQOVTAOXVMUZGC-UHFFFAOYSA-N
XLogP5.28
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450444) is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cnccc1C(F)(F)F)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is NQOVTAOXVMUZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O/c26-25(27,28)20-6-7-29-14-22(20)31-24(35)23-19-11-17(4-5-21(19)32-33-23)18-10-16(12-30-13-18)15-34-8-2-1-3-9-34/h4-7,10-14H,1-3,8-9,15H2,(H,31,35)(H,32,33).
What are the key properties of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 480.49 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).