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

C19H22FN5O — CID 139431507

IUPAC5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide
SMILESCc1ncc(-c2ccc3[nH]nc(C(=O)N[C@@H]4CCCC[C@H]4F)c3c2)n1C
InChIInChI=1S/C19H22FN5O/c1-11-21-10-17(25(11)2)12-7-8-15-13(9-12)18(24-23-15)19(26)22-16-6-4-3-5-14(16)20/h7-10,14,16H,3-6H2,1-2H3,(H,22,26)(H,23,24)/t14-,16-/m1/s1
InChIKeyJQDORNMYMUTDQF-GDBMZVCRSA-N
MW355.42 g/mol
LogP3.28
Rot. Bonds3

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

5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide (PubChem CID 139431507) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide
PubChem CID139431507
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide
SMILESCc1ncc(-c2ccc3[nH]nc(C(=O)N[C@@H]4CCCC[C@H]4F)c3c2)n1C
InChIInChI=1S/C19H22FN5O/c1-11-21-10-17(25(11)2)12-7-8-15-13(9-12)18(24-23-15)19(26)22-16-6-4-3-5-14(16)20/h7-10,14,16H,3-6H2,1-2H3,(H,22,26)(H,23,24)/t14-,16-/m1/s1
InChIKeyJQDORNMYMUTDQF-GDBMZVCRSA-N
XLogP3.28
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.28
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-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide (CID 139431507) is 5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide is Cc1ncc(-c2ccc3[nH]nc(C(=O)N[C@@H]4CCCC[C@H]4F)c3c2)n1C.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide?
The InChIKey is JQDORNMYMUTDQF-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-11-21-10-17(25(11)2)12-7-8-15-13(9-12)18(24-23-15)19(26)22-16-6-4-3-5-14(16)20/h7-10,14,16H,3-6H2,1-2H3,(H,22,26)(H,23,24)/t14-,16-/m1/s1.
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide?
5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.28, 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-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).