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

C16H16F3N5O — CID 139431490

IUPAC5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1ncc(-c2ccc3[nH]nc(C(=O)N[C@@H](C)C(F)(F)F)c3c2)n1C
InChIInChI=1S/C16H16F3N5O/c1-8(16(17,18)19)21-15(25)14-11-6-10(4-5-12(11)22-23-14)13-7-20-9(2)24(13)3/h4-8H,1-3H3,(H,21,25)(H,22,23)/t8-/m0/s1
InChIKeyRAPFAMLLOYHIJA-QMMMGPOBSA-N
MW351.33 g/mol
LogP2.95
Rot. Bonds3

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

5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 139431490) has the molecular formula C16H16F3N5O and a molecular weight of 351.33 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID139431490
Molecular FormulaC16H16F3N5O
Molecular Weight351.33 g/mol
Exact Mass351.13
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1ncc(-c2ccc3[nH]nc(C(=O)N[C@@H](C)C(F)(F)F)c3c2)n1C
InChIInChI=1S/C16H16F3N5O/c1-8(16(17,18)19)21-15(25)14-11-6-10(4-5-12(11)22-23-14)13-7-20-9(2)24(13)3/h4-8H,1-3H3,(H,21,25)(H,22,23)/t8-/m0/s1
InChIKeyRAPFAMLLOYHIJA-QMMMGPOBSA-N
XLogP2.95
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.95
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-trifluoropropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-indazole-3-carboxamide (CID 139431490) is 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-indazole-3-carboxamide is Cc1ncc(-c2ccc3[nH]nc(C(=O)N[C@@H](C)C(F)(F)F)c3c2)n1C.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is RAPFAMLLOYHIJA-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H16F3N5O/c1-8(16(17,18)19)21-15(25)14-11-6-10(4-5-12(11)22-23-14)13-7-20-9(2)24(13)3/h4-8H,1-3H3,(H,21,25)(H,22,23)/t8-/m0/s1.
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-indazole-3-carboxamide?
5-(2,3-dimethylimidazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 2.95, 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)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).