6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole

C17H20FN3O — CID 135273770

IUPAC6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole
SMILESCc1cc2cn[nH]c2cc1C1=CCCN(C2COC2)CC1F
InChIInChI=1S/C17H20FN3O/c1-11-5-12-7-19-20-17(12)6-15(11)14-3-2-4-21(8-16(14)18)13-9-22-10-13/h3,5-7,13,16H,2,4,8-10H2,1H3,(H,19,20)
InChIKeyHGQQDAFPOIQKRG-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.70
Rot. Bonds2

About 6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole

6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole (PubChem CID 135273770) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole.

Molecular Properties

Compound Name6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole
PubChem CID135273770
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole
SMILESCc1cc2cn[nH]c2cc1C1=CCCN(C2COC2)CC1F
InChIInChI=1S/C17H20FN3O/c1-11-5-12-7-19-20-17(12)6-15(11)14-3-2-4-21(8-16(14)18)13-9-22-10-13/h3,5-7,13,16H,2,4,8-10H2,1H3,(H,19,20)
InChIKeyHGQQDAFPOIQKRG-UHFFFAOYSA-N
XLogP2.70
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole with MolForge

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Related Compounds

5-methyl-1H-indazol-6-ol
CID 135742461
1-cyclohexyl-N-(5-methyl-1H-indazol-6-yl)azetidine-3-carboxamide
CID 128660734
6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole
CID 135262520
6-(3-morpholin-4-ylpyrrolidin-1-yl)-1H-indazol-5-amine
CID 107490188
1-(5-methyl-1H-indazol-6-yl)piperidin-2-one
CID 126486072
6-methyl-5-propan-2-yl-1H-indazole
CID 58371515
1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 118288785
1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine
CID 168833186
5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole
CID 171698004
N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide
CID 67562654
4-methyl-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 95841783
6-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-1H-indazole
CID 166963566

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole?
The IUPAC name of 6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole (CID 135273770) is 6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole.
What is the SMILES notation for 6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole?
The canonical SMILES for 6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole is Cc1cc2cn[nH]c2cc1C1=CCCN(C2COC2)CC1F.
What is the InChIKey of 6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole?
The InChIKey is HGQQDAFPOIQKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11-5-12-7-19-20-17(12)6-15(11)14-3-2-4-21(8-16(14)18)13-9-22-10-13/h3,5-7,13,16H,2,4,8-10H2,1H3,(H,19,20).
What are the key properties of 6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole?
6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole has a molecular weight of 301.37 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-5-methyl-1H-indazole is sourced from PubChem (CID 135273770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).