2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide

C44H38F6N10O — CID 160708041

IUPAC2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.CC(C)(N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C23H20F3N5O.C21H18F3N5/c1-14(32)30-22(2,3)19-7-4-6-17(28-19)15-10-11-16-13-27-31(18(16)12-15)21-9-5-8-20(29-21)23(24,25)26;1-20(2,25)17-6-3-5-15(27-17)13-9-10-14-12-26-29(16(14)11-13)19-8-4-7-18(28-19)21(22,23)24/h4-13H,1-3H3,(H,30,32);3-12H,25H2,1-2H3
InChIKeyRRMHYYLNKDYWBT-UHFFFAOYSA-N
MW836.85 g/mol
LogP9.57
Rot. Bonds7

About 2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide

2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide (PubChem CID 160708041) has the molecular formula C44H38F6N10O and a molecular weight of 836.85 g/mol. Its IUPAC name is 2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide
PubChem CID160708041
Molecular FormulaC44H38F6N10O
Molecular Weight836.85 g/mol
Exact Mass836.31
IUPAC Name2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.CC(C)(N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C23H20F3N5O.C21H18F3N5/c1-14(32)30-22(2,3)19-7-4-6-17(28-19)15-10-11-16-13-27-31(18(16)12-15)21-9-5-8-20(29-21)23(24,25)26;1-20(2,25)17-6-3-5-15(27-17)13-9-10-14-12-26-29(16(14)11-13)19-8-4-7-18(28-19)21(22,23)24/h4-13H,1-3H3,(H,30,32);3-12H,25H2,1-2H3
InChIKeyRRMHYYLNKDYWBT-UHFFFAOYSA-N
XLogP9.57
TPSA142.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.85
LogP ≤ 59.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide with MolForge

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Related Compounds

1-[4-[[4-[[1-[(3-Fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanone
CID 22390480
US10246456, Example 270
CID 118663562
US10246456, Example 209
CID 118663605
US10246456, Example 80
CID 118663775
US10246456, Example 97
CID 118663782
US10246456, Example 551
CID 118663783
US10246456, Example 125
CID 118663870
US10246456, Example 127
CID 118663986
US10246456, Example 255
CID 118664205
US10246456, Example 240
CID 118664248
US10246456, Example 117
CID 118664258
US10246456, Example 63
CID 118664288

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide?
The IUPAC name of 2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide (CID 160708041) is 2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide.
What is the SMILES notation for 2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide?
The canonical SMILES for 2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.CC(C)(N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of 2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide?
The InChIKey is RRMHYYLNKDYWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O.C21H18F3N5/c1-14(32)30-22(2,3)19-7-4-6-17(28-19)15-10-11-16-13-27-31(18(16)12-15)21-9-5-8-20(29-21)23(24,25)26;1-20(2,25)17-6-3-5-15(27-17)13-9-10-14-12-26-29(16(14)11-13)19-8-4-7-18(28-19)21(22,23)24/h4-13H,1-3H3,(H,30,32);3-12H,25H2,1-2H3.
What are the key properties of 2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide?
2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide has a molecular weight of 836.85 g/mol, XLogP of 9.57, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-amine;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide is sourced from PubChem (CID 160708041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).