2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide

C20H19F3N6O2 — CID 137377455

IUPAC2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide
SMILESNC(=O)c1cc2nn(C3CCNCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H19F3N6O2/c21-20(22,23)17-3-1-2-14(26-17)19(31)27-16-8-11-10-29(12-4-6-25-7-5-12)28-15(11)9-13(16)18(24)30/h1-3,8-10,12,25H,4-7H2,(H2,24,30)(H,27,31)
InChIKeyYLLKPUGBVQPDBY-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.73
Rot. Bonds4

About 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide

2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide (PubChem CID 137377455) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide.

Molecular Properties

Compound Name2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide
PubChem CID137377455
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC Name2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide
SMILESNC(=O)c1cc2nn(C3CCNCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H19F3N6O2/c21-20(22,23)17-3-1-2-14(26-17)19(31)27-16-8-11-10-29(12-4-6-25-7-5-12)28-15(11)9-13(16)18(24)30/h1-3,8-10,12,25H,4-7H2,(H2,24,30)(H,27,31)
InChIKeyYLLKPUGBVQPDBY-UHFFFAOYSA-N
XLogP2.73
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide?
The IUPAC name of 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide (CID 137377455) is 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide.
What is the SMILES notation for 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide?
The canonical SMILES for 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide is NC(=O)c1cc2nn(C3CCNCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide?
The InChIKey is YLLKPUGBVQPDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c21-20(22,23)17-3-1-2-14(26-17)19(31)27-16-8-11-10-29(12-4-6-25-7-5-12)28-15(11)9-13(16)18(24)30/h1-3,8-10,12,25H,4-7H2,(H2,24,30)(H,27,31).
What are the key properties of 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide?
2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide has a molecular weight of 432.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxamide is sourced from PubChem (CID 137377455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).