6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole

C22H18F3N5 — CID 118663782

IUPAC6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
SMILESFC(F)(F)c1cccc(-n2ncc3ccc(-c4cccc(C5CCCN5)n4)cc32)n1
InChIInChI=1S/C22H18F3N5/c23-22(24,25)20-7-2-8-21(29-20)30-19-12-14(9-10-15(19)13-27-30)16-4-1-5-18(28-16)17-6-3-11-26-17/h1-2,4-5,7-10,12-13,17,26H,3,6,11H2
InChIKeyQUSGOEXJUNDKKY-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.93
Rot. Bonds3

About 6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole

6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole (PubChem CID 118663782) has the molecular formula C22H18F3N5 and a molecular weight of 409.42 g/mol. Its IUPAC name is 6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole.

Molecular Properties

Compound Name6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
PubChem CID118663782
Molecular FormulaC22H18F3N5
Molecular Weight409.42 g/mol
Exact Mass409.15
IUPAC Name6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
SMILESFC(F)(F)c1cccc(-n2ncc3ccc(-c4cccc(C5CCCN5)n4)cc32)n1
InChIInChI=1S/C22H18F3N5/c23-22(24,25)20-7-2-8-21(29-20)30-19-12-14(9-10-15(19)13-27-30)16-4-1-5-18(28-16)17-6-3-11-26-17/h1-2,4-5,7-10,12-13,17,26H,3,6,11H2
InChIKeyQUSGOEXJUNDKKY-UHFFFAOYSA-N
XLogP4.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The IUPAC name of 6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole (CID 118663782) is 6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole.
What is the SMILES notation for 6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The canonical SMILES for 6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole is FC(F)(F)c1cccc(-n2ncc3ccc(-c4cccc(C5CCCN5)n4)cc32)n1.
What is the InChIKey of 6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The InChIKey is QUSGOEXJUNDKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5/c23-22(24,25)20-7-2-8-21(29-20)30-19-12-14(9-10-15(19)13-27-30)16-4-1-5-18(28-16)17-6-3-11-26-17/h1-2,4-5,7-10,12-13,17,26H,3,6,11H2.
What are the key properties of 6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole has a molecular weight of 409.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-pyrrolidin-2-yl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole is sourced from PubChem (CID 118663782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).