2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole

C18H21N3 — CID 153382942

IUPAC2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole
SMILESCC1=CC(c2cc(C)c3nn(C)cc3c2)=NC(C)=C(C)C1
InChIInChI=1S/C18H21N3/c1-11-6-12(2)14(4)19-17(7-11)15-8-13(3)18-16(9-15)10-21(5)20-18/h7-10H,6H2,1-5H3
InChIKeyMEOREQMRUDKMCY-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.31
Rot. Bonds1

About 2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole

2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole (PubChem CID 153382942) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole.

Molecular Properties

Compound Name2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole
PubChem CID153382942
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole
SMILESCC1=CC(c2cc(C)c3nn(C)cc3c2)=NC(C)=C(C)C1
InChIInChI=1S/C18H21N3/c1-11-6-12(2)14(4)19-17(7-11)15-8-13(3)18-16(9-15)10-21(5)20-18/h7-10H,6H2,1-5H3
InChIKeyMEOREQMRUDKMCY-UHFFFAOYSA-N
XLogP4.31
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2,5,7-trimethylindazole
CID 156845071
2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline
CID 142492191
ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
CID 156888629
5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole
CID 171760423
8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline
CID 174159605
2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde
CID 143510786
6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383029
(7-fluoro-2,5-dimethylindazol-6-yl)methanol
CID 176566434
5-chloro-2,7-dimethylpyrazolo[3,4-c]pyridine
CID 162432890
7-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylisoquinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoxaline
CID 161237062
6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
CID 156757727
6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine
CID 153383264

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole?
The IUPAC name of 2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole (CID 153382942) is 2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole.
What is the SMILES notation for 2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole?
The canonical SMILES for 2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole is CC1=CC(c2cc(C)c3nn(C)cc3c2)=NC(C)=C(C)C1.
What is the InChIKey of 2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole?
The InChIKey is MEOREQMRUDKMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-11-6-12(2)14(4)19-17(7-11)15-8-13(3)18-16(9-15)10-21(5)20-18/h7-10H,6H2,1-5H3.
What are the key properties of 2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole?
2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole has a molecular weight of 279.39 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole is sourced from PubChem (CID 153382942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).