5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole

C16H20BrN3O — CID 169087539

IUPAC5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole
SMILESBrc1ccc2nn([C@@H]3CCN(C4CCOCC4)C3)cc2c1
InChIInChI=1S/C16H20BrN3O/c17-13-1-2-16-12(9-13)10-20(18-16)15-3-6-19(11-15)14-4-7-21-8-5-14/h1-2,9-10,14-15H,3-8,11H2/t15-/m1/s1
InChIKeyDAPRKHGGGPJYPB-OAHLLOKOSA-N
MW350.26 g/mol
LogP3.22
Rot. Bonds2

About 5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole

5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole (PubChem CID 169087539) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole.

Molecular Properties

Compound Name5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole
PubChem CID169087539
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole
SMILESBrc1ccc2nn([C@@H]3CCN(C4CCOCC4)C3)cc2c1
InChIInChI=1S/C16H20BrN3O/c17-13-1-2-16-12(9-13)10-20(18-16)15-3-6-19(11-15)14-4-7-21-8-5-14/h1-2,9-10,14-15H,3-8,11H2/t15-/m1/s1
InChIKeyDAPRKHGGGPJYPB-OAHLLOKOSA-N
XLogP3.22
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-pyrrolidin-3-ylindazole
CID 169087490
5-bromo-6-methyl-2-(oxan-4-yl)indazole
CID 178165259
tert-butyl 3-(5-bromoindazol-2-yl)piperidine-1-carboxylate
CID 175058391
4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid
CID 170350484
6-bromo-1-(oxan-4-yl)benzimidazol-2-amine
CID 65346881
5-methyl-2-(1-methylpiperidin-4-yl)indazole
CID 164997785
2-cyclobutylindazol-5-amine
CID 90308963
2-cyclopentylindazol-5-amine
CID 90309184
4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine
CID 175512014
4-bromo-1-(oxan-4-yl)pyrazol-3-amine
CID 63938031
(2-cyclopropylindazol-5-yl)boronic acid
CID 155893680
methyl 2-(oxan-4-yl)indazole-6-carboxylate
CID 137377490

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole?
The IUPAC name of 5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole (CID 169087539) is 5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole.
What is the SMILES notation for 5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole?
The canonical SMILES for 5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole is Brc1ccc2nn([C@@H]3CCN(C4CCOCC4)C3)cc2c1.
What is the InChIKey of 5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole?
The InChIKey is DAPRKHGGGPJYPB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20BrN3O/c17-13-1-2-16-12(9-13)10-20(18-16)15-3-6-19(11-15)14-4-7-21-8-5-14/h1-2,9-10,14-15H,3-8,11H2/t15-/m1/s1.
What are the key properties of 5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole?
5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole has a molecular weight of 350.26 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]indazole is sourced from PubChem (CID 169087539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).