6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile

C19H11F3N6 — CID 118664576

IUPAC6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile
SMILESN#Cc1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H11F3N6/c20-19(21,22)17-2-1-3-18(27-17)28-16-6-11(13-5-14(24)9-25-8-13)4-12(7-23)15(16)10-26-28/h1-6,8-10H,24H2
InChIKeyJMDKMQZNBCYCMJ-UHFFFAOYSA-N
MW380.33 g/mol
LogP3.96
Rot. Bonds2

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

6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile (PubChem CID 118664576) has the molecular formula C19H11F3N6 and a molecular weight of 380.33 g/mol. Its IUPAC name is 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile.

Molecular Properties

Compound Name6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile
PubChem CID118664576
Molecular FormulaC19H11F3N6
Molecular Weight380.33 g/mol
Exact Mass380.10
IUPAC Name6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile
SMILESN#Cc1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H11F3N6/c20-19(21,22)17-2-1-3-18(27-17)28-16-6-11(13-5-14(24)9-25-8-13)4-12(7-23)15(16)10-26-28/h1-6,8-10H,24H2
InChIKeyJMDKMQZNBCYCMJ-UHFFFAOYSA-N
XLogP3.96
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile?
The IUPAC name of 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile (CID 118664576) is 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile.
What is the SMILES notation for 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile?
The canonical SMILES for 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile is N#Cc1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.
What is the InChIKey of 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile?
The InChIKey is JMDKMQZNBCYCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N6/c20-19(21,22)17-2-1-3-18(27-17)28-16-6-11(13-5-14(24)9-25-8-13)4-12(7-23)15(16)10-26-28/h1-6,8-10H,24H2.
What are the key properties of 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile?
6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile has a molecular weight of 380.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile is sourced from PubChem (CID 118664576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).