6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide

C20H15F3N6O — CID 118664255

IUPAC6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H15F3N6O/c1-25-19(30)14-6-11(12-5-13(24)9-26-8-12)7-16-15(14)10-27-29(16)18-4-2-3-17(28-18)20(21,22)23/h2-10H,24H2,1H3,(H,25,30)
InChIKeyPBGGHNINANYDIP-UHFFFAOYSA-N
MW412.38 g/mol
LogP3.44
Rot. Bonds3

About 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide

6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (PubChem CID 118664255) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
PubChem CID118664255
Molecular FormulaC20H15F3N6O
Molecular Weight412.38 g/mol
Exact Mass412.13
IUPAC Name6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H15F3N6O/c1-25-19(30)14-6-11(12-5-13(24)9-26-8-12)7-16-15(14)10-27-29(16)18-4-2-3-17(28-18)20(21,22)23/h2-10H,24H2,1H3,(H,25,30)
InChIKeyPBGGHNINANYDIP-UHFFFAOYSA-N
XLogP3.44
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The IUPAC name of 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (CID 118664255) is 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.
What is the SMILES notation for 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The canonical SMILES for 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide is CNC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.
What is the InChIKey of 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The InChIKey is PBGGHNINANYDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O/c1-25-19(30)14-6-11(12-5-13(24)9-26-8-12)7-16-15(14)10-27-29(16)18-4-2-3-17(28-18)20(21,22)23/h2-10H,24H2,1H3,(H,25,30).
What are the key properties of 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide has a molecular weight of 412.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 118664255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).