5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide

C17H18F3N5O — CID 139431478

IUPAC5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide
SMILESCC[C@H](NC(=O)c1n[nH]c2ccc(-c3cnc(C)n3C)cc12)C(F)(F)F
InChIInChI=1S/C17H18F3N5O/c1-4-14(17(18,19)20)22-16(26)15-11-7-10(5-6-12(11)23-24-15)13-8-21-9(2)25(13)3/h5-8,14H,4H2,1-3H3,(H,22,26)(H,23,24)/t14-/m0/s1
InChIKeyUOMDUDOWNKMQHT-AWEZNQCLSA-N
MW365.36 g/mol
LogP3.34
Rot. Bonds4

About 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide

5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 139431478) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide
PubChem CID139431478
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide
SMILESCC[C@H](NC(=O)c1n[nH]c2ccc(-c3cnc(C)n3C)cc12)C(F)(F)F
InChIInChI=1S/C17H18F3N5O/c1-4-14(17(18,19)20)22-16(26)15-11-7-10(5-6-12(11)23-24-15)13-8-21-9(2)25(13)3/h5-8,14H,4H2,1-3H3,(H,22,26)(H,23,24)/t14-/m0/s1
InChIKeyUOMDUDOWNKMQHT-AWEZNQCLSA-N
XLogP3.34
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide (CID 139431478) is 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide is CC[C@H](NC(=O)c1n[nH]c2ccc(-c3cnc(C)n3C)cc12)C(F)(F)F.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is UOMDUDOWNKMQHT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-4-14(17(18,19)20)22-16(26)15-11-7-10(5-6-12(11)23-24-15)13-8-21-9(2)25(13)3/h5-8,14H,4H2,1-3H3,(H,22,26)(H,23,24)/t14-/m0/s1.
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide?
5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).