6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine

C38H24F6N10 — CID 158439126

IUPAC6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine
SMILESN#Cc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.NCc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C19H14F3N5.C19H10F3N5/c2*20-19(21,22)17-5-2-6-18(26-17)27-16-9-12(7-8-13(16)11-24-27)15-4-1-3-14(10-23)25-15/h1-9,11H,10,23H2;1-9,11H
InChIKeyHCPGJEKZQPSRME-UHFFFAOYSA-N
MW734.67 g/mol
LogP8.33
Rot. Bonds5

About 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine

6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine (PubChem CID 158439126) has the molecular formula C38H24F6N10 and a molecular weight of 734.67 g/mol. Its IUPAC name is 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine
PubChem CID158439126
Molecular FormulaC38H24F6N10
Molecular Weight734.67 g/mol
Exact Mass734.21
IUPAC Name6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine
SMILESN#Cc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.NCc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C19H14F3N5.C19H10F3N5/c2*20-19(21,22)17-5-2-6-18(26-17)27-16-9-12(7-8-13(16)11-24-27)15-4-1-3-14(10-23)25-15/h1-9,11H,10,23H2;1-9,11H
InChIKeyHCPGJEKZQPSRME-UHFFFAOYSA-N
XLogP8.33
TPSA137.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.67
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine with MolForge

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Related Compounds

2,4-diamino-6-[[(1S)-1-[1-pyridin-3-yl-6-(trifluoromethyl)indazol-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 148951751
1-[6-(4-Fluoropiperidin-3-yl)pyridin-2-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine
CID 89914500
US10131670, Example 30
CID 134608254
US10246456, Example 270
CID 118663562
US10246456, Example 209
CID 118663605
US10246456, Example 89
CID 118663715
US10246456, Example 111
CID 118663752
US10246456, Example 80
CID 118663775
US10246456, Example 97
CID 118663782
US10246456, Example 551
CID 118663783
US10246456, Example 25
CID 118663846
US10246456, Example 125
CID 118663870

Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine?
The IUPAC name of 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine (CID 158439126) is 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine?
The canonical SMILES for 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine is N#Cc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.NCc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine?
The InChIKey is HCPGJEKZQPSRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5.C19H10F3N5/c2*20-19(21,22)17-5-2-6-18(26-17)27-16-9-12(7-8-13(16)11-24-27)15-4-1-3-14(10-23)25-15/h1-9,11H,10,23H2;1-9,11H.
What are the key properties of 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine?
6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine has a molecular weight of 734.67 g/mol, XLogP of 8.33, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 158439126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).