2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide

C16H19BrClN3O2 — CID 171613144

IUPAC2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide
SMILESCCC(C(N)=O)c1c(Cl)cc2c(cnn2C2CCCCO2)c1Br
InChIInChI=1S/C16H19BrClN3O2/c1-2-9(16(19)22)14-11(18)7-12-10(15(14)17)8-20-21(12)13-5-3-4-6-23-13/h7-9,13H,2-6H2,1H3,(H2,19,22)
InChIKeySEGIGBSEQDYBAT-UHFFFAOYSA-N
MW400.70 g/mol
LogP4.13
Rot. Bonds4

About 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide

2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide (PubChem CID 171613144) has the molecular formula C16H19BrClN3O2 and a molecular weight of 400.70 g/mol. Its IUPAC name is 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide.

Molecular Properties

Compound Name2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide
PubChem CID171613144
Molecular FormulaC16H19BrClN3O2
Molecular Weight400.70 g/mol
Exact Mass399.03
IUPAC Name2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide
SMILESCCC(C(N)=O)c1c(Cl)cc2c(cnn2C2CCCCO2)c1Br
InChIInChI=1S/C16H19BrClN3O2/c1-2-9(16(19)22)14-11(18)7-12-10(15(14)17)8-20-21(12)13-5-3-4-6-23-13/h7-9,13H,2-6H2,1H3,(H2,19,22)
InChIKeySEGIGBSEQDYBAT-UHFFFAOYSA-N
XLogP4.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.70
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide?
The IUPAC name of 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide (CID 171613144) is 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide.
What is the SMILES notation for 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide?
The canonical SMILES for 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide is CCC(C(N)=O)c1c(Cl)cc2c(cnn2C2CCCCO2)c1Br.
What is the InChIKey of 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide?
The InChIKey is SEGIGBSEQDYBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClN3O2/c1-2-9(16(19)22)14-11(18)7-12-10(15(14)17)8-20-21(12)13-5-3-4-6-23-13/h7-9,13H,2-6H2,1H3,(H2,19,22).
What are the key properties of 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide?
2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide has a molecular weight of 400.70 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide is sourced from PubChem (CID 171613144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).