(1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone

C62H55F3N14O — CID 158038555

IUPAC(1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.CN[C@@H](C)c1cccc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1.CN[C@H](C)c1cccc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1
InChIInChI=1S/2C21H21N5.C20H13F3N4O/c2*1-14-6-4-9-21(24-14)26-20-12-16(10-11-17(20)13-23-26)19-8-5-7-18(25-19)15(2)22-3;1-12(28)15-4-2-5-16(25-15)13-8-9-14-11-24-27(17(14)10-13)19-7-3-6-18(26-19)20(21,22)23/h2*4-13,15,22H,1-3H3;2-11H,1H3/t2*15-;/m10./s1
InChIKeyFIBKQQHKDQIULV-UIPGKBEOSA-N
MW1069.21 g/mol
LogP12.85
Rot. Bonds11

About (1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone

(1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone (PubChem CID 158038555) has the molecular formula C62H55F3N14O and a molecular weight of 1069.21 g/mol. Its IUPAC name is (1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name(1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone
PubChem CID158038555
Molecular FormulaC62H55F3N14O
Molecular Weight1069.21 g/mol
Exact Mass1068.46
IUPAC Name(1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.CN[C@@H](C)c1cccc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1.CN[C@H](C)c1cccc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1
InChIInChI=1S/2C21H21N5.C20H13F3N4O/c2*1-14-6-4-9-21(24-14)26-20-12-16(10-11-17(20)13-23-26)19-8-5-7-18(25-19)15(2)22-3;1-12(28)15-4-2-5-16(25-15)13-8-9-14-11-24-27(17(14)10-13)19-7-3-6-18(26-19)20(21,22)23/h2*4-13,15,22H,1-3H3;2-11H,1H3/t2*15-;/m10./s1
InChIKeyFIBKQQHKDQIULV-UIPGKBEOSA-N
XLogP12.85
TPSA171.93 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.21
LogP ≤ 512.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze (1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone with MolForge

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Related Compounds

US10246456, Example 87
CID 118664326
7-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N,2-trimethylindazole-3-carboxamide
CID 137507756
US10246456, Example 207
CID 118664933
US10246456, Example 450
CID 118663556
US10246456, Example 228
CID 118663635
US10246456, Example 126
CID 118663659
US10246456, Example 269
CID 118663799
US10246456, Example 274
CID 118664492
US10246456, Example 212
CID 118663981
US20250074911, Example 141
CID 168934481
US20250074911, Example 5
CID 168935151
US20250074911, Example 140
CID 168935158

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone?
The IUPAC name of (1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone (CID 158038555) is (1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for (1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone?
The canonical SMILES for (1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.CN[C@@H](C)c1cccc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1.CN[C@H](C)c1cccc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1.
What is the InChIKey of (1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone?
The InChIKey is FIBKQQHKDQIULV-UIPGKBEOSA-N. The full InChI is InChI=1S/2C21H21N5.C20H13F3N4O/c2*1-14-6-4-9-21(24-14)26-20-12-16(10-11-17(20)13-23-26)19-8-5-7-18(25-19)15(2)22-3;1-12(28)15-4-2-5-16(25-15)13-8-9-14-11-24-27(17(14)10-13)19-7-3-6-18(26-19)20(21,22)23/h2*4-13,15,22H,1-3H3;2-11H,1H3/t2*15-;/m10./s1.
What are the key properties of (1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone?
(1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone has a molecular weight of 1069.21 g/mol, XLogP of 12.85, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(1R)-N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 158038555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).