N-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C20H20F3N5O — CID 118381170

IUPACN-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(C(F)(F)F)c4)cc23)CC1
InChIInChI=1S/C20H20F3N5O/c1-28-6-4-15(5-7-28)25-19(29)18-16-9-12(2-3-17(16)26-27-18)13-8-14(11-24-10-13)20(21,22)23/h2-3,8-11,15H,4-7H2,1H3,(H,25,29)(H,26,27)
InChIKeyDTUVAINNEHZNJN-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.47
Rot. Bonds3

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

N-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381170) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118381170
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC NameN-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(C(F)(F)F)c4)cc23)CC1
InChIInChI=1S/C20H20F3N5O/c1-28-6-4-15(5-7-28)25-19(29)18-16-9-12(2-3-17(16)26-27-18)13-8-14(11-24-10-13)20(21,22)23/h2-3,8-11,15H,4-7H2,1H3,(H,25,29)(H,26,27)
InChIKeyDTUVAINNEHZNJN-UHFFFAOYSA-N
XLogP3.47
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381170) is N-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(C(F)(F)F)c4)cc23)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is DTUVAINNEHZNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-28-6-4-15(5-7-28)25-19(29)18-16-9-12(2-3-17(16)26-27-18)13-8-14(11-24-10-13)20(21,22)23/h2-3,8-11,15H,4-7H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).