3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine

C15H19BrClN3O — CID 171613484

IUPAC3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine
SMILESNCCCc1c(Cl)cc2c(cnn2C2CCCCO2)c1Br
InChIInChI=1S/C15H19BrClN3O/c16-15-10(4-3-6-18)12(17)8-13-11(15)9-19-20(13)14-5-1-2-7-21-14/h8-9,14H,1-7,18H2
InChIKeyJPOUOVZIVHSHFX-UHFFFAOYSA-N
MW372.69 g/mol
LogP4.04
Rot. Bonds4

About 3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine

3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine (PubChem CID 171613484) has the molecular formula C15H19BrClN3O and a molecular weight of 372.69 g/mol. Its IUPAC name is 3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine
PubChem CID171613484
Molecular FormulaC15H19BrClN3O
Molecular Weight372.69 g/mol
Exact Mass371.04
IUPAC Name3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine
SMILESNCCCc1c(Cl)cc2c(cnn2C2CCCCO2)c1Br
InChIInChI=1S/C15H19BrClN3O/c16-15-10(4-3-6-18)12(17)8-13-11(15)9-19-20(13)14-5-1-2-7-21-14/h8-9,14H,1-7,18H2
InChIKeyJPOUOVZIVHSHFX-UHFFFAOYSA-N
XLogP4.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propanoic acid
CID 171613449
1-azido-4-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butan-2-one
CID 171613642
2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol
CID 177150139
tert-butyl (3R)-3-[3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propoxycarbonylamino]cycloheptane-1-carboxylate
CID 177285066
2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide
CID 171613144
4-bromo-6-chloro-5-(cyclobuten-1-yl)-1-(oxan-2-yl)indazole
CID 171567846
tert-butyl 3-[2-[3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propyl]-1,3-oxazol-5-yl]piperidine-1-carboxylate
CID 171613473
tert-butyl (3aR,7aR)-1-[5-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]pentanoyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 171613116
tert-butyl (3R)-3-[3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propoxycarbonylamino]-3-methylazepane-1-carboxylate
CID 171613391
1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol
CID 171567865
tert-butyl (3R)-3-[4-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butylsulfinylmethyl]piperidine-1-carboxylate
CID 171613105
3-azido-4-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butan-2-one
CID 171613621

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine?
The IUPAC name of 3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine (CID 171613484) is 3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine is NCCCc1c(Cl)cc2c(cnn2C2CCCCO2)c1Br.
What is the InChIKey of 3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine?
The InChIKey is JPOUOVZIVHSHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3O/c16-15-10(4-3-6-18)12(17)8-13-11(15)9-19-20(13)14-5-1-2-7-21-14/h8-9,14H,1-7,18H2.
What are the key properties of 3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine?
3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine has a molecular weight of 372.69 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine is sourced from PubChem (CID 171613484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).