cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine

C19H27N3O2 — CID 69436428

IUPACcis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine
SMILESCc1c(O[C@@H]2CCC[C@H](N)C2)ccc2c1cnn2C1CCCCO1
InChIInChI=1S/C19H27N3O2/c1-13-16-12-21-22(19-7-2-3-10-23-19)17(16)8-9-18(13)24-15-6-4-5-14(20)11-15/h8-9,12,14-15,19H,2-7,10-11,20H2,1H3/t14-,15+,19?/m0/s1
InChIKeyJFTXROJYIPRPAT-FPHLKLNRSA-N
MW329.44 g/mol
LogP3.69
Rot. Bonds3

About cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine

cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine (PubChem CID 69436428) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine
PubChem CID69436428
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Namecis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine
SMILESCc1c(O[C@@H]2CCC[C@H](N)C2)ccc2c1cnn2C1CCCCO1
InChIInChI=1S/C19H27N3O2/c1-13-16-12-21-22(19-7-2-3-10-23-19)17(16)8-9-18(13)24-15-6-4-5-14(20)11-15/h8-9,12,14-15,19H,2-7,10-11,20H2,1H3/t14-,15+,19?/m0/s1
InChIKeyJFTXROJYIPRPAT-FPHLKLNRSA-N
XLogP3.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole
CID 117232101
1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole
CID 69434566
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
3-methyl-4-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-1-oxidoquinolin-1-ium
CID 170548642
4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
CID 171613304
7-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrido[4,3-d]pyrimidine
CID 175883643
7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine
CID 177195504
2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
CID 175183046
5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole
CID 23134542

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine (CID 69436428) is cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine is Cc1c(O[C@@H]2CCC[C@H](N)C2)ccc2c1cnn2C1CCCCO1.
What is the InChIKey of cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine?
The InChIKey is JFTXROJYIPRPAT-FPHLKLNRSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-16-12-21-22(19-7-2-3-10-23-19)17(16)8-9-18(13)24-15-6-4-5-14(20)11-15/h8-9,12,14-15,19H,2-7,10-11,20H2,1H3/t14-,15+,19?/m0/s1.
What are the key properties of cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine?
cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine has a molecular weight of 329.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine is sourced from PubChem (CID 69436428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).