5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide

C16H15F4N5O — CID 139431461

IUPAC5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide
SMILESCc1ncc(-c2cc(F)c3n[nH]c(C(=O)N[C@@H](C)C(F)(F)F)c3c2)n1C
InChIInChI=1S/C16H15F4N5O/c1-7(16(18,19)20)22-15(26)14-10-4-9(5-11(17)13(10)23-24-14)12-6-21-8(2)25(12)3/h4-7H,1-3H3,(H,22,26)(H,23,24)/t7-/m0/s1
InChIKeyPPCVLBXGGMCTFP-ZETCQYMHSA-N
MW369.32 g/mol
LogP3.09
Rot. Bonds3

About 5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide

5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide (PubChem CID 139431461) has the molecular formula C16H15F4N5O and a molecular weight of 369.32 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide
PubChem CID139431461
Molecular FormulaC16H15F4N5O
Molecular Weight369.32 g/mol
Exact Mass369.12
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide
SMILESCc1ncc(-c2cc(F)c3n[nH]c(C(=O)N[C@@H](C)C(F)(F)F)c3c2)n1C
InChIInChI=1S/C16H15F4N5O/c1-7(16(18,19)20)22-15(26)14-10-4-9(5-11(17)13(10)23-24-14)12-6-21-8(2)25(12)3/h4-7H,1-3H3,(H,22,26)(H,23,24)/t7-/m0/s1
InChIKeyPPCVLBXGGMCTFP-ZETCQYMHSA-N
XLogP3.09
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.09
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)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide (CID 139431461) is 5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide is Cc1ncc(-c2cc(F)c3n[nH]c(C(=O)N[C@@H](C)C(F)(F)F)c3c2)n1C.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide?
The InChIKey is PPCVLBXGGMCTFP-ZETCQYMHSA-N. The full InChI is InChI=1S/C16H15F4N5O/c1-7(16(18,19)20)22-15(26)14-10-4-9(5-11(17)13(10)23-24-14)12-6-21-8(2)25(12)3/h4-7H,1-3H3,(H,22,26)(H,23,24)/t7-/m0/s1.
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide?
5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide has a molecular weight of 369.32 g/mol, XLogP of 3.09, 3 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)-7-fluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2H-indazole-3-carboxamide is sourced from PubChem (CID 139431461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).