5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide

C19H13F3N6O — CID 118382133

IUPAC5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
SMILESNc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccnc(C(F)(F)F)c4)c3c2)c1
InChIInChI=1S/C19H13F3N6O/c20-19(21,22)16-7-13(3-4-25-16)26-18(29)17-14-6-10(1-2-15(14)27-28-17)11-5-12(23)9-24-8-11/h1-9H,23H2,(H,27,28)(H,25,26,29)
InChIKeyMGHJSTJXYSPERT-UHFFFAOYSA-N
MW398.35 g/mol
LogP3.87
Rot. Bonds3

About 5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide

5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382133) has the molecular formula C19H13F3N6O and a molecular weight of 398.35 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118382133
Molecular FormulaC19H13F3N6O
Molecular Weight398.35 g/mol
Exact Mass398.11
IUPAC Name5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
SMILESNc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccnc(C(F)(F)F)c4)c3c2)c1
InChIInChI=1S/C19H13F3N6O/c20-19(21,22)16-7-13(3-4-25-16)26-18(29)17-14-6-10(1-2-15(14)27-28-17)11-5-12(23)9-24-8-11/h1-9H,23H2,(H,27,28)(H,25,26,29)
InChIKeyMGHJSTJXYSPERT-UHFFFAOYSA-N
XLogP3.87
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-amino-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382058
5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide
CID 89459064
5-(5-amino-3-pyridinyl)-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118381935
5-(5-amino-3-pyridinyl)-N-(3,5-difluoro-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118382179
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450413
5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 146905101
5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450628
N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide
CID 171349998
5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381665
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
CID 118381858
5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 118381881
N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123214472

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide (CID 118382133) is 5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide is Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccnc(C(F)(F)F)c4)c3c2)c1.
What is the InChIKey of 5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is MGHJSTJXYSPERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O/c20-19(21,22)16-7-13(3-4-25-16)26-18(29)17-14-6-10(1-2-15(14)27-28-17)11-5-12(23)9-24-8-11/h1-9H,23H2,(H,27,28)(H,25,26,29).
What are the key properties of 5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide?
5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 398.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).